{"ID":110340,"post_author":"9412100","post_date":"2024-01-04 12:28:14","post_date_gmt":"0000-00-00 00:00:00","post_content":"","post_title":"LIMSjournal - Winter 2023","post_excerpt":"","post_status":"draft","comment_status":"closed","ping_status":"closed","post_password":"","post_name":"","to_ping":"","pinged":"","post_modified":"2024-01-04 12:28:14","post_modified_gmt":"2024-01-04 17:28:14","post_content_filtered":"","post_parent":0,"guid":"https:\/\/www.limsforum.com\/?post_type=ebook&p=110340","menu_order":0,"post_type":"ebook","post_mime_type":"","comment_count":"0","filter":"","holland":null,"_ebook_metadata":{"enabled":"on","private":"0","guid":"3517BE0E-5272-4F4D-B759-B384191CC4FA","title":"LIMSjournal - Winter 2023","subtitle":"Volume 9, Issue 4","cover_theme":"nico_3","cover_image":"https:\/\/www.limsforum.com\/wp-content\/plugins\/rdp-ebook-builder\/pl\/cover.php?cover_style=nico_3&subtitle=Volume+9%2C+Issue+4&editor=Shawn+Douglas&title=LIMSjournal+-+Winter+2023&title_image=https%3A%2F%2Fs3.limswiki.org%2Fwww.limswiki.org%2Fimages%2F7%2F78%2FFig1_Sbail%25C3%25B2_npjCompMat22_8.png&publisher=LabLynx+Press","editor":"Shawn Douglas","publisher":"LabLynx Press","author_id":"26","image_url":"","items":{"ad414735b42a278cddfde5fea097f5b9_type":"article","ad414735b42a278cddfde5fea097f5b9_title":"Evaluating the effectiveness of a new student-centred laboratory training strategy in clinical biochemistry teaching (Xu et al. 2023)","ad414735b42a278cddfde5fea097f5b9_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching","ad414735b42a278cddfde5fea097f5b9_plaintext":"\n\nJournal:Evaluating the effectiveness of a new student-centred laboratory training strategy in clinical biochemistry teachingFrom LIMSWikiJump to navigationJump to searchFull article title\n \nEvaluating the effectiveness of a new student-centred laboratory training strategy in clinical biochemistry teachingJournal\n \nBMC Medical EducationAuthor(s)\n \nXu, Guoying; Zhao, Chuanxiang; Yan, Mengdan; Zhang, Xiaoxian; Zhu, Ling; Liu, Jiaxiu; Zhao, Yaping; Zhang, Yuling; Cai, Weili; Xie, Hongxiang; Jiang, Yuzhang; Shao, QixiangAuthor affiliation(s)\n \nJiangsu College of Nursing, Youyang Medical Laboratory Co., Hangzhou Medical College, Nanjing Medical UniversityPrimary contact\n \nEmail: shao underscore qx at jscn dot edu dot cnYear published\n \n2023Volume and issue\n \n23Article #\n \n391DOI\n \n10.1186\/s12909-023-04272-7ISSN\n \n1472-6920Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-023-04272-7Download\n \nhttps:\/\/bmcmededuc.biomedcentral.com\/counter\/pdf\/10.1186\/s12909-023-04272-7.pdf (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Methods \n\n3.1 Participants \n3.2 Teaching strategies \n\n3.2.1 Test group \n\n\n3.3 Control group \n3.4 Outcome evaluation \n\n3.4.1 Assessment for laboratory operation \n3.4.2 Assessment of students\u2019 course scores \n3.4.3 Questionnaire survey \n\n\n3.5 Statistical analysis \n\n\n4 Results \n\n4.1 Comparison of laboratory training scores \n4.2 Comparison of total course scores \n4.3 Survey results \n\n\n5 Discussion \n6 Conclusion \n7 Abbreviations, acronyms, and initialisms \n8 Acknowledgements \n\n8.1 Author contributions \n8.2 Ethics approval and consent to participate \n8.3 Funding \n8.4 Availability of data and materials \n8.5 Competing interests \n\n\n9 References \n10 Notes \n\n\n\nAbstract \nBackground: The error-proneness in the pre-analytical and post-analytical stages is higher than that in the analytical stage of the total laboratory testing process. However, pre-analytical and post-analytical quality management has not received enough attention in medical laboratory education and tests in clinical biochemistry courses.\nMethods\/approach: Clinical biochemistry teaching programs aim to improve students\u2019 awareness of and ability to use quality management practices according to the International Organization for Standardization's ISO 15189 requirements. We designed a student-centered laboratory training program according to case-based learning that included four stages: establish an overall testing process based on the patient\u2019s clinical indicators, clarify principles, improve operational skills, and review processes and continuous improvement opportunities. The program was implemented in our college during the winter semesters of 2019 and 2020. A total of 185 undergraduate students majoring in medical laboratory science participated in the program as a test group, and the other 172 students were set up as the control group and adopted the conventional method. The participants were asked to finish an online survey to evaluate the class at the end.\nResults\/outcomes: The test group had significantly better examination scores not only in experimental operational skills (89.27\u2009\u00b1\u20097.16 vs. 77.51\u2009\u00b1\u20094.72, p\u2009<\u20090.05 in 2019 grade, 90.31\u2009\u00b1\u20095.35 vs. 72.87\u2009\u00b1\u20098.41 in 2020 grade) but also in total examination (83.47\u2009\u00b1\u20096.16 vs. 68.90\u2009\u00b1\u20095.86 in 2019 grade, 82.42\u2009\u00b1\u20095.72 vs. 69.55\u2009\u00b1\u20097.54 in 2020 grade) than the control group. The results of the questionnaire survey revealed that the students in the test group better achieved classroom goals than those in the control group (all p\u2009<\u20090.05).\nConclusions: The new student-centered laboratory training program based on case-based learning in clinical biochemistry is an effective and acceptable strategy compared with the conventional training program.\nKeywords: case-based learning, clinical biochemistry, laboratory training, quality management, student-centered\n\nIntroduction \nClinical biochemistry is a pivotal division of the modern medical laboratory. According to the International Federation of Clinical Chemistry (IFCC), clinical chemistry is responsible for applying chemical, molecular, and cellular strategies and techniques to better understand and assess human health and disease processes. It ultimately affects the process of treatment as well as the quality of medical outcomes.[1] It has been reported that the results of laboratory tests influence 70 percent of medical diagnoses, guide approximately 70 percent of clinical decisions, and facilitate the provision of optimal patient care.[2][3] \nPractical training plays a crucial role in clinical biochemistry curriculum. The goal of the course is to enable students to remember the test procedure and understand the underlying principles and medical significance, especially to ensure the accuracy of the test results. However, in traditional teaching, emphasis on quality control (QC) during the analytical process has received more attention, while neglecting elements of QC during the pre-analytical and post-analytical processes in the experimental courses of clinical biochemistry teaching. In fact, the error-proneness in the analytical process is lower than that in pre- and post-analytical processes of the total testing process (TTP).[4] Moreover, awareness of and ability to use quality management practices are much more important for students. The International Organization for Standardization's (ISO's) ISO 15189 Medical laboratories \u2014 Requirements for quality and competence was first published by the ISO's Clinical laboratory testing and in vitro diagnostic test systems technical committee (ISO\/TC 212) in 2003. After several revisions, it has become an important international gold standard in medical laboratory proficiency, cultivating strong elements of laboratory quality management while addressing the processes and procedures that should be used throughout the TTP.[5][6] As such, there is strong value in acclimating students to the concepts of quality management by applying the ISO 15189 standard to clinical biochemistry classwork.\nTraditional training models such as lecture-based learning (LBL) have several features, including a teacher-centered tiered process, a focus on knowledge acquisition, and a final summative assessment at the end of courses. This is indeed the most cost-effective way to carry out theoretical education.[7] As such, several teaching modes are obviously superior to traditional teaching in the course of clinical biochemistry, such as traditional teaching combined with group discussion, peer debriefing approaches, and team learning.[8][9][10] However, small groups and case-based learning (CBL) are likely to dominate medical education. CBL is a learner-centered special type of problem-based learning (PBL) that guides students\u2019 learning and exploration through cases. It has been elucidated that CBL can improve the performance and clinical skills of medical students[11]; help convey an understanding of key concepts[12]; improve clinical practice, problem-solving, case analysis, and the link between theory and practice[13][14][15]; and motivate students to learn more deeply[16], with better student satisfaction.[17] It is hypothesized that students who participate in CBL gain deeper and longer lasting knowledge than those who do not.[18] Compared with traditional methods, the application of practical knowledge (Objective Structure Clinic Examination [OSCE] scores) through CBL is significantly improved.[19] \nA limitation of this approach is that multiple faculty facilitators may be needed. However, during the COVID-19 pandemic, virtual teaching workshops emerged as an easy and straightforward way to implant a more interactive format into virtual case teaching for health professions.[20] That being said, there is yet to appear a proper teaching model that focuses on improving the entire quality management process dictated by ISO 15189 in clinical biochemistry courses.\nHere, we designed a new student-centered training program based on CBL in the experimental teaching of a clinical biochemistry course, with the goal of improving the awareness of and ability to use quality management practices by students majoring in medical laboratory science.\n\nMethods \nParticipants \nA total of 357 undergraduate students majoring in medical laboratory science in 2019 and 2020 were randomly divided into two groups: a test group and a control group. Students participated in the program each semester. There were 92 recruited into the testing group in 2019 and 93 recruited into 2020 according to individual will. The number of male and female students was kept similar to exclude the influencing factors of gender on CBL.[13] The remaining students (87 in 2019, 85 in 2020) participated in the traditional program as a control group. Teachers with at least one year of CBL teaching experience were designated as the teachers of the test group, which enrolled 10 to 12 students per training classroom. All study participants completed basic medical courses related to the testing profession and had a certain ability to comprehensively analyze medical knowledge. Students from both groups were taught by the same teachers using the same syllabus and teaching materials. In this study, no significant differences were found between the study participants, such as the theoretical score of biochemistry and clinical disease synopsis course. The control group was given appropriate supplementary training after the examination to prevent perceived unfairness in their education experience. All the programs were approved by the education committee of our college.\n\nTeaching strategies \nA total of nine experiments were assigned. The primary subject was on biosafety and the use of biochemical instruments commonly used in clinical practice. The themes of the remaining eight classes involved specific experiments on clinical indicators of diabetes mellitus, liver cirrhosis, nephrotic syndrome, coronary atherosclerotic cardiopathy, pancreatitis, electrolyte disturbance, multiple myeloma, and hyperthyroidism. At the end of program, the lab examination was performed. Each experiment was conducted in three consecutive classes of 45\u2009minutes. A similar learning environment was maintained for both groups, i.e., lab classrooms, lecture times, assessment methods.\n\nTest group \nThe laboratory training adopted a new student-centered training program that was divided into four stages. First, students had access to the case (with the questions) at least two to four\u2009days before the class and were asked to answer several basic questions individually about the case before the class, e.g., what the diagnosis is based on, what the detection indicators are, and what the the indicators of a certain inspection procedures for pre-analysis, analysis, and post-analysis are. The answers of each minor group were then shared in the class, and the students tried to reach a consensus among the groups, with the teachers\u2019 facilitation. This stage took approximately 30\u2009minutes. Second, it took 30\u2009minutes to learn principles, which was mainly an explanation of the current commonly used methods and principles. Third, it took 45\u2009minutes to improve their lab skills, including the evaluation of lab conditions, assessment of equipment conditions, use of internal control, and sample processing according to the standard operating procedure (SOP). Fourth, results were analyzed by combining the ISO 15189 requirements with the teaching contents to improve the operations in 30\u2009minutes. The main concern was the review and reporting of results. When abnormal or suspicious results occurred, the students were able to identify them. The teachers facilitated the entire process. If the results were not judged correctly, the teacher asked students to re-check the result until they met the re-inspection requirements, and the students analyzed whether the results could be issued. After that, the students were asked to conduct a quiz and an after-class survey.\n\nControl group \nThe knowledge and theoretical outline of the clinical biochemistry course in the lectures was the same as that of the test group. Experimental teaching was implemented in a teacher-centered way. The teacher explained the principles, operation points, and medical significance, and then the students performed the experiment. A schematic diagram of the teaching mode between the two groups is shown in Figure 1.\n\n\n\n\n\n\n\n\n\nFig. 1 Schematic diagram of the pathway comparison between the new student-centred laboratory training program and the traditional training program in clinical biochemistry. SOP: Standard Operating Procedure; TTP: Total Testing Process; PDCA: Plan, Do, Check, Act.\n\n\n\nHere is an example. Students became familiar with the clinical manifestations of a patient with recurrent systemic edema (finally diagnosed as nephrotic syndrome) two weeks before the class on that same topic. When the nephrotic syndrome was diagnosed, urinalysis, blood counts and coagulation panel, renal function and electrolytes, liver panel, and glucose tests were required. Students were asked to report why and how the test procedure for \u201ccreatine and urea\u201d in renal function was determined. Finally, students were then asked to discuss the examination process and medical significance, and analyze various factors that may affect the test result, including pre-pre-analysis (i.e., test selection, test ordering, patient\/specimen identification), pre-analysis (i.e., specimen collection, transportation, specimen processing, specimen preparation), analytic, post-analysis (i.e., report review, result reporting), and post-post-analysis (i.e., result interpretation) in accordance with the requirements of ISO 15189.[21] Then students made an operation plan according to the inspection process of the project, and the teachers evaluated and determined the testing procedure.\n\nOutcome evaluation \nAssessment for laboratory operation \nTo evaluate students\u2019 students\u2019 awareness of and ability to use quality management practices in TTP and other laboratory processes, evaluation indicators were designed as shown in Table 1.\n\n\n\n\n\n\n\nTable 1. The evaluation system of the experimental operation.\n\n\nPhase\n\nDetailed rules of evaluation index\n\nGrade weights and within area\n\nPercentages of total\n\nEvaluation mode\n\n\n1\n\nPre-analytical\n\n* Familiarity with the clinical significance\n\n10%\n\n40%\n\nOral test\n\n\n* Familiarity with the clinical significance\n\n10%\n\nOral test\n\n\n* Principle of test indicator\n\n10%\n\nPaper test\n\n\n* Parameter setting according to the instructions of the kit\n\n10%\n\nObservation\n\n\n2\n\nAnalytical\n\n* Check accommodation and environmental conditions, assess laboratory equipment\n\n5%\n\n40%\n\nObservation\n\n\n* Use of internal QC rules\n\n5%\n\nOral test\n\n\n* Sample determination\n\n10%\n\nOral test\n\n\n* Sample and reagent addition using the pipettes and micro-pipettors\n\n10%\n\nObservation\n\n\n* Records to be legible\n\n5%\n\nObservation\n\n\n* Instrument maintenance\n\n5%\n\nObservation\n\n\n3\n\nPost-analytical\n\n* Results reporting\n\n5%\n\n20%\n\nPaper test\n\n\n* Results analysis and judgement: evaluate them in conformity with clinical information available regarding patient\n\n10%\n\nPaper test\n\n\n* Communication with doctors\n\n5%\n\nOral test\n\n\n\n Assessment of students\u2019 course scores \nThe total course scores included four components: classroom performance, experimental evaluation, mid-term examination, and final examination (Table 2). Classroom performance includes attendance, attitude, completeness of assignment, and experiment report. The content of the experiment report includes four parts: how to determine the test procedure, test principle, precautions of the procedure, and results interpretation and analysis. The experimental evaluation was carried out in the last class. The eight items were numbered, and the students drew lots to determine which items to evaluate. The mid-term and final exams had terminology, short answers, and single-choice questions: 10 fill-in-the-blank (one point per question); five terminology (two points per question); four short-answer questions, including one case analysis (five points per question); and 60 single-choice (one point per question). Standard answers to all questions were defined by the instructor before the students\u2019 answers were graded.\n\n\n\n\n\n\n\nTable 2. Composition of clinical biochemistry course grades.\n\n\nComponent\n\nSpecific definition\n\nPercentages\n\n\nUsual performance\n\nAttendance, attitude, completion of assignment, experimental report, class participation online and offline\n\n30%\n\n\nThe laboratory evaluation\n\nScore using experimental evaluation system\n\n20%\n\n\nMid-term examination\n\nWritten examination\n\n20%\n\n\nFinal exam\n\nWritten examination\n\n30%\n\n\n\nQuestionnaire survey \nCurriculum evaluation is critical to continuous assurance of teaching quality.[22] To assess the effectiveness and acceptability of implementing the four-stage experimental training program based on the ISO 15189 standard, in addition to the typical course evaluations, the students were asked to complete a survey about the course after finishing the course. An anonymous 10-question survey was created to develop a baseline of student achievement of goals in the class and the impact of teaching mode on learning (Table 3). The questions presented in the results section were discussed by all supervisors involved in this study to ensure their quality. Most of the survey questions were in Likert scale format, giving a statement on a scroll bar that the students could choose from \u201cStrongly Disagree\u201d to \u201cStrongly Agree\u201d on a scale of 1-5.\n\n\n\n\n\n\n\nTable 3. Questionnaire survey.\n\n\nObjectives for the class\n\n\n1\n\nI remember the test procedure.\n\n\n2\n\nI understand the principle of the test.\n\n\n3\n\nClinical cases help me understand the medical significance of examination.\n\n\n4\n\nI deeply understand the meaning of ISO 15189 requirements.\n\n\n5\n\nI agree with the idea of \u201cquality control is fundamental, quality management is the most important objective\u201d.\n\n\nImpact of teaching mode on learning\n\n\n6\n\nI will pay more attention to the influencing factors of test results in the pre-analytical and post-analytical processes.\n\n\n7\n\nI will keep records of every step of the experiment.\n\n\n8\n\nI will communicate with clinical staff and patients actively after examination.\n\n\n9\n\nI am interested and satisfied with the design of the teaching process.\n\n\n10\n\nI hope the four-stage teaching model will be used in other courses.\n\n\n\nStatistical analysis \nMeans and standard deviations were calculated, and the differences were analyzed using an independent samples t test. A p value <\u20090.05 was considered to be statistically significant. Data are presented as the means \u00b1 SDs.\n\nResults \nComparison of laboratory training scores \nA total of 357 students participated in this program, and 185 students (52%) attended a four-stage training program. A total of 314 students completed the post-class survey (88% response rate).\nThe experimental operation scores in four-stage training program classes were significantly higher than those of the traditional program classes of both grades (Fig. 2).\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 2 Comparison of laboratory training scores (*P\u2009<\u20090.05)\n\n\n\nComparison of total course scores \nThe students\u2019 scores for this course in the test groups were significantly higher than those in the control groups in 2019 and 2020 (Fig. 3).\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 3 Comparison of total course scores (*P\u2009<\u20090.05)\n\n\n\nSurvey results \nThe accumulative score on the survey questions on learning for the students in the test group was higher than that for the students in the control group either about objectives or the impact of teaching mode on learning (Table 4). Students in the testing group agreed that they remembered the testing procedure, understood the testing principle and the medical significance, understood the connotation of ISO 15189 requirements, and agreed that quality management is more important than QC. Fewer students in the control group agreed. More students were interested and satisfied with this new student-centered teaching mode. Meanwhile, more students would like the teaching model to be used in other courses.\n\n\n\n\n\n\n\nTable 4. Questionnaire survey comparison.\n\n\nSurvey objectives\n\nAggregate score\n\nt value\n\nP value\n\n\nTest group (n\u2009=\u2009160)\n\nControl group (n\u2009=\u2009154)\n\n\nAchievement of curriculum objectives\n\n22.64 \u00b1 2.58\n\n18.31 \u00b1 3.97\n\n11.41\n\n<\u20090.05\n\n\nImpact of teaching mode on learning\n\n23.21 \u00b1 2.04\n\n19.77 \u00b1 3.69\n\n10.17\n\n<\u20090.05\n\n\n\nDiscussion \nClinical biochemistry belongs to the field of medical technology and involves various techniques and methods for analyzing the chemical components of body fluid samples.[23] To do well in the clinical biochemistry course, students will undergo rigorous clinical laboratory practical training and gain valuable practical experience in sample handling and instrumentation. Ensuring the accuracy of test results and understanding the medical significance of laboratory tests are important for students who major in medical laboratories. There are many obstacles to teaching clinical chemistry and laboratory medicine, such as the lack of interactive or hands-on teaching models.[24] In this study, we designed a new student-centered training program with four stages based on CBL considering TTP, including pre-analytical, analytical, and post-analytical stages. The participating teachers were asked to provide clinical cases related to clinical biochemistry, design questions according to the experimental objectives, and upload to the DingTalk group before class. Reaction curves on an automated biochemical analyzer were also provided. CBL requires students to prepare well in advance, which may be considered an additional burden if they are not yet familiar with the subject of the course.[25][26] The authors suggest that CBL should be actively adopted for courses that are delivered in the final stage of the program. The quality of students\u2019 previews directly affects the learning effect of each stage. In particular, the determination of the process of the first stage of the inspection program process and the analysis of errors in the final stage from pre-analysis to post-analysis.\nOur new student-centered training strategy has a positive effect on both the achievement of class goals and the impact of teaching mode on learning. It has several advantages over traditional teaching methods. First, it helps students combine the theory with complicated clinical situations. With cases as a bridge, to explore as a driving force, students can integrate their knowledge and adapt to clinical practice. Second, under the new training evaluation system, students pay more attention to the management of the entire testing process rather than on the QC of the analysis, as the error rate of the analysis is lower than that of the pre-analysis and post-analysis of the TTP. Third, by analyzing the experimental results and unconsciously recording the test process, ISO 15189 concepts of continuous improvement were implanted, thereby putting the concept of plan\u2013do\u2013check\u2013act (PDCA) into practice, developing recording habits, and improving communication skills.\nWhile the program has already produced very positive results, there are many improvements and additions that could be made. The first would be to check students\u2019 familiarity with the case before the class. Otherwise, the first stage of the study time could be extended. In addition, multiple discipline inspection items, such as immunology, microbiology, and clinical examination, should be considered based on the symptoms of each patient. Different assignments of students may affect the course sores between the two groups.\n\nConclusion \nIn summary, our experience suggests that this new student-centered experimental teaching strategy based on CBL is more effective and acceptable than the conventional experimental teaching mode in the clinical biochemistry course.\n\n Abbreviations, acronyms, and initialisms \nCBL: case-based learning\nIFCC: International Federation of Clinical Chemistry\nISO: International Organization for Standardization\nLBL: lecture-based learning\nOSCE: Objective Structure Clinic Examination\nPBL: problem-based learning\nPDCA: plan\u2013do\u2013check\u2013act\nQC: quality control\nSOP: standard operating procedure\nTTP: total testing process\nAcknowledgements \nThe authors thank all the students who participated in the study.\n\nAuthor contributions \nGuoying Xu, Chuanxiang Zhao, Mengdan Yan, Xiaoxian Zhang, Ling Zhu, Jiaxiu Liu, and Qixiang Shao conceived the training program. Yuzhang Jiang, Yaping Zhao and Hongxiang Xie put forward many suggestions during the implementation of the program. Guoying Xu, Yuling Zhang and Qixiang Shao performed the analysis and interpreted the data. Guoying Xu wrote the original graft. Weili Cai and Qixiang Shao helped organize and revise the manuscript. All authors read and approved the final manuscript. Guoying Xu and Xiaoxian Zhang are the funding recipients. All authors contributed to the article and approved the submitted version.\n\nEthics approval and consent to participate \nThis study was performed in accordance with the Declaration of Helsinki. It was approved by the Ethics Committee of Huai\u2019an First People\u2019s Hospital. Informed consent was obtained from all subjects.\n\nFunding \nThis work was supported by the fifth issue of Jiangsu Province Vocational Education Teaching Reform Research Project (ZYB545), Program of China Vocational Education Society (ZJS2022YB214), and Program of the Key Laboratory Construction of Innovation Service Capacity Construction Plan of Huai \u2018an Science and Technology Bureau (HAP202004).\n\nAvailability of data and materials \nThe datasets used and\/or analyzed in this study are available from the corresponding authors on reasonable request.\n\nCompeting interests \nThe authors declare that they have no competing interests.\n\nReferences \n\n\n\u2191 Durner, J\u00fcrgen (29 December 2009). \"Clinical Chemistry: Challenges for Analytical Chemistry and the Nanosciences from Medicine\" (in en). 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PMID 30574036. https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6295584\/ .   \n \n\n\u2191 Oderinu, Olabisi H.; Adegbulugbe, Ilemobade C.; Orenuga, Omolola. O.; Butali, Azeez (1 May 2020). \"Comparison of students' perception of problem\u2010based learning and traditional teaching method in a Nigerian dental school\" (in en). European Journal of Dental Education 24 (2): 207\u2013212. doi:10.1111\/eje.12486. ISSN 1396-5883. https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/eje.12486 .   \n \n\n\u2191 Vadakedath, Sabitha; Kandi, Venkataramana (16 August 2019). \"Modified Conventional Teaching: An Assessment of Clinical Biochemistry Learning Process Among Medical Undergraduate Students Using the Traditional Teaching in Combination with Group Discussion\" (in en). Cureus. doi:10.7759\/cureus.5396. ISSN 2168-8184. PMC PMC6793614. PMID 31620321. https:\/\/www.cureus.com\/articles\/22339-modified-conventional-teaching-an-assessment-of-clinical-biochemistry-learning-process-among-medical-undergraduate-students-using-the-traditional-teaching-in-combination-with-group-discussion .   \n \n\n\u2191 Fatima, Syeda; Liaquat, Afrose; Mansoor, Sumreena; Rauf, Ayesh; Fatima, Syeda (2020). \"Clinical biochemistry teaching: use of peer debriefing by Pendleton's rule as an instructional tool\". Journal of the Pakistan Medical Association (0): 1. doi:10.5455\/JPMA.17645. ISSN 0030-9982. https:\/\/www.ejmanager.com\/fulltextpdf.php?mno=17645 .   \n \n\n\u2191 Alamoudi, Aliaa Amr; Al Shawwa, Lana Adey; Gad, Hoda; Tekian, Ara (1 July 2021). \"Team\u2010based learning versus traditional didactic lectures in teaching clinical biochemistry at King Abdulaziz University; learning outcomes and student satisfaction\" (in en). Biochemistry and Molecular Biology Education 49 (4): 546\u2013559. doi:10.1002\/bmb.21501. ISSN 1470-8175. https:\/\/iubmb.onlinelibrary.wiley.com\/doi\/10.1002\/bmb.21501 .   \n \n\n\u2191 Zhao, Wanjun; He, Linye; Deng, Wenyi; Zhu, Jingqiang; Su, Anping; Zhang, Yong (1 December 2020). \"The effectiveness of the combined problem-based learning (PBL) and case-based learning (CBL) teaching method in the clinical practical teaching of thyroid disease\" (in en). BMC Medical Education 20 (1): 381. doi:10.1186\/s12909-020-02306-y. ISSN 1472-6920. PMC PMC7583209. PMID 33092583. https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-020-02306-y .   \n \n\n\u2191 Novack, Jeffrey P. (27 May 2020). \"Designing Cases for Case-Based Immunology Teaching in Large Medical School Classes\". Frontiers in Immunology 11: 995. doi:10.3389\/fimmu.2020.00995. ISSN 1664-3224. PMC PMC7267000. PMID 32536919. https:\/\/www.frontiersin.org\/article\/10.3389\/fimmu.2020.00995\/full .   \n \n\n\u2191 13.0 13.1 Williams, B (1 August 2005). \"Case based learning--a review of the literature: is there scope for this educational paradigm in prehospital education?\" (in en). Emergency Medicine Journal 22 (8): 577\u2013581. doi:10.1136\/emj.2004.022707. ISSN 1472-0205. PMC PMC1726887. PMID 16046764. https:\/\/emj.bmj.com\/lookup\/doi\/10.1136\/emj.2004.022707 .   \n \n\n\u2191 Nair, Sandhya Pillai (2013). \"Case Based Learning: A Method for Better Understanding of Biochemistry in Medical Students\". JOURNAL OF CLINICAL AND DIAGNOSTIC RESEARCH. doi:10.7860\/JCDR\/2013\/5795.3212. PMC PMC3782900. PMID 24086843. http:\/\/www.jcdr.net\/article_fulltext.asp?issn=0973-709x&year=2013&volume=7&issue=8&page=1576&issn=0973-709x&id=3212 .   \n \n\n\u2191 Cen, X.-Y.; Hua, Y.; Niu, S.; Yu, T. (1 April 2021). \"Application of case-based learning in medical student education: a meta-analysis\". European Review for Medical and Pharmacological Sciences 25 (8): 3173\u20133181. doi:10.26355\/eurrev_202104_25726. ISSN 1128-3602. https:\/\/doi.org\/10.26355\/eurrev_202104_25726 .   \n \n\n\u2191 McLean, Susan F. (1 January 2016). \"Case-Based Learning and its Application in Medical and Health-Care Fields: A Review of Worldwide Literature\" (in en). Journal of Medical Education and Curricular Development 3: JMECD.S20377. doi:10.4137\/JMECD.S20377. ISSN 2382-1205. PMC PMC5736264. PMID 29349306. http:\/\/journals.sagepub.com\/doi\/10.4137\/JMECD.S20377 .   \n \n\n\u2191 Krupat, Edward; Richards, Jeremy B.; Sullivan, Amy M.; Fleenor, Thomas J.; Schwartzstein, Richard M. (1 May 2016). \"Assessing the Effectiveness of Case-Based Collaborative Learning via Randomized Controlled Trial\" (in en). Academic Medicine 91 (5): 723\u2013729. doi:10.1097\/ACM.0000000000001004. ISSN 1040-2446. https:\/\/journals.lww.com\/00001888-201605000-00035 .   \n \n\n\u2191 Chonkar, Sonali Prashant; Ha, Tam Cam; Chu, Sarah Shan Hang; Ng, Ada Xinhui; Lim, Melissa Li Shan; Ee, Tat Xin; Ng, Mor Jack; Tan, Kok Hian (1 December 2018). \"The predominant learning approaches of medical students\" (in en). BMC Medical Education 18 (1): 17. doi:10.1186\/s12909-018-1122-5. ISSN 1472-6920. PMC PMC5774125. PMID 29347934. https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-018-1122-5 .   \n \n\n\u2191 Turk, Bela; Ertl, Sebastian; Wong, Guoruey; Wadowski, Patricia P.; L\u00f6ffler-Stastka, Henriette (1 December 2019). \"Does case-based blended-learning expedite the transfer of declarative knowledge to procedural knowledge in practice?\" (in en). BMC Medical Education 19 (1): 447. doi:10.1186\/s12909-019-1884-4. ISSN 1472-6920. PMC PMC6889574. PMID 31796049. https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-019-1884-4 .   \n \n\n\u2191 Spicer, Jennifer O.; Nguyen, Trong Tien; Arnold, Margaret W.; Anderson, Tiffany; Khalife, Roy (17 March 2021). \"A Faculty Development Workshop for Planning and Implementing Interactive Virtual Case-Based Teaching\" (in en). MedEdPORTAL: 11126. doi:10.15766\/mep_2374-8265.11126. ISSN 2374-8265. PMC PMC7970636. PMID 33768155. http:\/\/www.mededportal.org\/doi\/10.15766\/mep_2374-8265.11126 .   \n \n\n\u2191 Stroobants, A.K; Goldschmidt, H.M.J; Plebani, M (1 July 2003). \"Error budget calculations in laboratory medicine: linking the concepts of biological variation and allowable medical errors\" (in en). Clinica Chimica Acta 333 (2): 169\u2013176. doi:10.1016\/S0009-8981(03)00181-5. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009898103001815 .   \n \n\n\u2191 Galukande, M; Katamba, A; Kiguli, S; Kiguli-Malwadde, E; Kijjambu, S; Sewankambo, N (12 March 2015). \"Problem based learning: tutors\u2019 views 5 years after implementation at a sub-Saharan University\". African Health Sciences 15 (1): 261. doi:10.4314\/ahs.v15i1.34. ISSN 1680-6905. PMC PMC4370133. PMID 25834557. http:\/\/www.ajol.info\/index.php\/ahs\/article\/view\/114180 .   \n \n\n\u2191 Yao, C.; Li, R.; Fu, W. (2015). \"Exploration of the course construction of clinical biochemistry under the new medical model\". Zhonghua yixue jiaoyu tansuo zazhi [Chinese Journal of Medical Education Research] 14: 757\u201360.   \n \n\n\u2191 Wiencek, Joesph R; Chambliss, Allison B; Bertholf, Roger L; Cotten, Steven W; Ellervik, Christina; Kreuter, Justin D; Mirza, Kamran M; Shajani-Yi, Zahra (18 May 2022). \"A Paradigm Shift: Engagement of Clinical Chemistry and Laboratory Medicine Trainees by Innovative Teaching Methods\" (in en). Clinical Chemistry 68 (5): 619\u2013626. doi:10.1093\/clinchem\/hvac036. ISSN 0009-9147. https:\/\/academic.oup.com\/clinchem\/article\/68\/5\/619\/6548427 .   \n \n\n\u2191 Sait, Mohammed Salik; Siddiqui, Zohaib; Ashraf, Yasir (2 May 2017). \"Advances in medical education and practice: student perceptions of the flipped classroom\" (in English). Advances in Medical Education and Practice 8: 317\u2013320. doi:10.2147\/AMEP.S133328. PMC PMC5422339. PMID 28496377. https:\/\/www.dovepress.com\/letter-httpswwwdovepresscomadvances-in-medical-education-an-peer-reviewed-fulltext-article-AMEP .   \n \n\n\u2191 Zhang, Shan Yong; Zheng, Jia Wei; Yang, Chi; Zhang, Zhi Yuan; Shen, Guo Fang; Zhang, Jian Zhong; Xu, Yuan Jin; Cao, Xia (1 October 2012). \"Case\u2010Based Learning in Clinical Courses in a Chinese College of Stomatology\" (in en). Journal of Dental Education 76 (10): 1389\u20131392. doi:10.1002\/j.0022-0337.2012.76.10.tb05396.x. ISSN 0022-0337. https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/j.0022-0337.2012.76.10.tb05396.x .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation, spelling, and grammar. In some cases important information was missing from the references, and that information was added.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\">https:\/\/www.limswiki.org\/index.php\/Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching<\/a>\nCategories: LIMSwiki journal articles (added in 2022)LIMSwiki journal articles (all)LIMSwiki journal articles on educationLIMSwiki journal articles on health informaticsLIMSwiki journal articles on imaging informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 3 October 2023, at 00:42.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 703 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","ad414735b42a278cddfde5fea097f5b9_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching rootpage-Journal_Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Evaluating the effectiveness of a new student-centred laboratory training strategy in clinical biochemistry teaching<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><b>Background<\/b>: The error-proneness in the pre-analytical and post-analytical stages is higher than that in the analytical stage of the total <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> testing process. However, pre-analytical and post-analytical <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> management has not received enough attention in <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_laboratory\" title=\"Clinical laboratory\" class=\"wiki-link\" data-key=\"307bcdf1bdbcd1bb167cee435b7a5463\">medical laboratory<\/a> education and tests in clinical <a href=\"https:\/\/www.limswiki.org\/index.php\/Biochemistry\" title=\"Biochemistry\" class=\"wiki-link\" data-key=\"17365d4e36341ee64e5637b81c21fc08\">biochemistry<\/a> courses.\n<\/p><p><b>Methods\/approach<\/b>: Clinical biochemistry teaching programs aim to improve students\u2019 awareness of and ability to use quality management practices according to the <a href=\"https:\/\/www.limswiki.org\/index.php\/International_Organization_for_Standardization\" title=\"International Organization for Standardization\" class=\"wiki-link\" data-key=\"116defc5d89c8a55f5b7c1be0790b442\">International Organization for Standardization<\/a>'s <a href=\"https:\/\/www.limswiki.org\/index.php\/ISO_15189\" title=\"ISO 15189\" class=\"wiki-link\" data-key=\"e7867fe884a6e63d87c5a1bff5c28bc2\">ISO 15189<\/a> requirements. We designed a student-centered laboratory training program according to case-based learning that included four stages: establish an overall testing process based on the patient\u2019s clinical indicators, clarify principles, improve operational skills, and review processes and continuous improvement opportunities. The program was implemented in our college during the winter semesters of 2019 and 2020. A total of 185 undergraduate students majoring in medical laboratory science participated in the program as a test group, and the other 172 students were set up as the control group and adopted the conventional method. The participants were asked to finish an online survey to evaluate the class at the end.\n<\/p><p><b>Results\/outcomes<\/b>: The test group had significantly better examination scores not only in experimental operational skills (89.27\u2009\u00b1\u20097.16 vs. 77.51\u2009\u00b1\u20094.72, <i>p<\/i>\u2009<\u20090.05 in 2019 grade, 90.31\u2009\u00b1\u20095.35 vs. 72.87\u2009\u00b1\u20098.41 in 2020 grade) but also in total examination (83.47\u2009\u00b1\u20096.16 vs. 68.90\u2009\u00b1\u20095.86 in 2019 grade, 82.42\u2009\u00b1\u20095.72 vs. 69.55\u2009\u00b1\u20097.54 in 2020 grade) than the control group. The results of the questionnaire survey revealed that the students in the test group better achieved classroom goals than those in the control group (all <i>p<\/i>\u2009<\u20090.05).\n<\/p><p><b>Conclusions<\/b>: The new student-centered laboratory training program based on case-based learning in clinical biochemistry is an effective and acceptable strategy compared with the conventional training program.\n<\/p><p><b>Keywords<\/b>: case-based learning, clinical biochemistry, laboratory training, quality management, student-centered\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>Clinical <a href=\"https:\/\/www.limswiki.org\/index.php\/Biochemistry\" title=\"Biochemistry\" class=\"wiki-link\" data-key=\"17365d4e36341ee64e5637b81c21fc08\">biochemistry<\/a> is a pivotal division of the modern <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_laboratory\" title=\"Clinical laboratory\" class=\"wiki-link\" data-key=\"307bcdf1bdbcd1bb167cee435b7a5463\">medical laboratory<\/a>. According to the International Federation of Clinical Chemistry (IFCC), <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_chemistry\" title=\"Clinical chemistry\" class=\"wiki-link\" data-key=\"184d3433dd1f9dba149f42bc82234b8d\">clinical chemistry<\/a> is responsible for applying chemical, molecular, and cellular strategies and techniques to better understand and assess human health and disease processes. It ultimately affects the process of treatment as well as the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> of medical outcomes.<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> It has been reported that the results of <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> tests influence 70 percent of <a href=\"https:\/\/www.limswiki.org\/index.php\/Medical_diagnosis\" title=\"Medical diagnosis\" class=\"wiki-link\" data-key=\"6fd078bb38b5c9089d7271b4ba20fe7c\">medical diagnoses<\/a>, guide approximately 70 percent of clinical decisions, and facilitate the provision of optimal patient care.<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup> \n<\/p><p>Practical training plays a crucial role in clinical biochemistry curriculum. The goal of the course is to enable students to remember the test procedure and understand the underlying principles and medical significance, especially to ensure the accuracy of the test results. However, in traditional teaching, emphasis on <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_control\" title=\"Quality control\" class=\"wiki-link\" data-key=\"1e0e0c2eb3e45aff02f5d61799821f0f\">quality control<\/a> (QC) during the analytical process has received more attention, while neglecting elements of QC during the pre-analytical and post-analytical processes in the experimental courses of clinical biochemistry teaching. In fact, the error-proneness in the analytical process is lower than that in pre- and post-analytical processes of the total testing process (TTP).<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup> Moreover, awareness of and ability to use quality management practices are much more important for students. The <a href=\"https:\/\/www.limswiki.org\/index.php\/International_Organization_for_Standardization\" title=\"International Organization for Standardization\" class=\"wiki-link\" data-key=\"116defc5d89c8a55f5b7c1be0790b442\">International Organization for Standardization<\/a>'s (ISO's) <a href=\"https:\/\/www.limswiki.org\/index.php\/ISO_15189\" title=\"ISO 15189\" class=\"wiki-link\" data-key=\"e7867fe884a6e63d87c5a1bff5c28bc2\">ISO 15189<\/a> <i>Medical laboratories \u2014 Requirements for quality and competence<\/i> was first published by the ISO's Clinical laboratory testing and in vitro diagnostic test systems technical committee (ISO\/TC 212) in 2003. After several revisions, it has become an important international gold standard in medical laboratory proficiency, cultivating strong elements of laboratory quality management while addressing the processes and procedures that should be used throughout the TTP.<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup> As such, there is strong value in acclimating students to the concepts of quality management by applying the ISO 15189 standard to clinical biochemistry classwork.\n<\/p><p>Traditional training models such as lecture-based learning (LBL) have several features, including a teacher-centered tiered process, a focus on knowledge acquisition, and a final summative assessment at the end of courses. This is indeed the most cost-effective way to carry out theoretical education.<sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> As such, several teaching modes are obviously superior to traditional teaching in the course of clinical biochemistry, such as traditional teaching combined with group discussion, peer debriefing approaches, and team learning.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup> However, small groups and case-based learning (CBL) are likely to dominate medical education. CBL is a learner-centered special type of problem-based learning (PBL) that guides students\u2019 learning and exploration through cases. It has been elucidated that CBL can improve the performance and clinical skills of medical students<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup>; help convey an understanding of key concepts<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup>; improve clinical practice, problem-solving, case analysis, and the link between theory and practice<sup id=\"rdp-ebb-cite_ref-:0_13-0\" class=\"reference\"><a href=\"#cite_note-:0-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup>; and motivate students to learn more deeply<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup>, with better student satisfaction.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> It is hypothesized that students who participate in CBL gain deeper and longer lasting knowledge than those who do not.<sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup> Compared with traditional methods, the application of practical knowledge (Objective Structure Clinic Examination [OSCE] scores) through CBL is significantly improved.<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup> \n<\/p><p>A limitation of this approach is that multiple faculty facilitators may be needed. However, during the <a href=\"https:\/\/www.limswiki.org\/index.php\/COVID-19\" class=\"mw-redirect wiki-link\" title=\"COVID-19\" data-key=\"da9bd20c492b2a17074ad66c2fe25652\">COVID-19<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Pandemic\" title=\"Pandemic\" class=\"wiki-link\" data-key=\"bd9a48e6c6e41b6d603ee703836b01f1\">pandemic<\/a>, virtual teaching workshops emerged as an easy and straightforward way to implant a more interactive format into virtual case teaching for health professions.<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup> That being said, there is yet to appear a proper teaching model that focuses on improving the entire quality management process dictated by ISO 15189 in clinical biochemistry courses.\n<\/p><p>Here, we designed a new student-centered training program based on CBL in the experimental teaching of a clinical biochemistry course, with the goal of improving the awareness of and ability to use quality management practices by students majoring in medical laboratory science.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Methods\">Methods<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Participants\">Participants<\/span><\/h3>\n<p>A total of 357 undergraduate students majoring in medical laboratory science in 2019 and 2020 were randomly divided into two groups: a test group and a control group. Students participated in the program each semester. There were 92 recruited into the testing group in 2019 and 93 recruited into 2020 according to individual will. The number of male and female students was kept similar to exclude the influencing factors of gender on CBL.<sup id=\"rdp-ebb-cite_ref-:0_13-1\" class=\"reference\"><a href=\"#cite_note-:0-13\">[13]<\/a><\/sup> The remaining students (87 in 2019, 85 in 2020) participated in the traditional program as a control group. Teachers with at least one year of CBL teaching experience were designated as the teachers of the test group, which enrolled 10 to 12 students per training classroom. All study participants completed basic medical courses related to the testing profession and had a certain ability to comprehensively analyze medical knowledge. Students from both groups were taught by the same teachers using the same syllabus and teaching materials. In this study, no significant differences were found between the study participants, such as the theoretical score of biochemistry and clinical disease synopsis course. The control group was given appropriate supplementary training after the examination to prevent perceived unfairness in their education experience. All the programs were approved by the education committee of our college.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Teaching_strategies\">Teaching strategies<\/span><\/h3>\n<p>A total of nine experiments were assigned. The primary subject was on <a href=\"https:\/\/www.limswiki.org\/index.php\/Biosafety\" title=\"Biosafety\" class=\"wiki-link\" data-key=\"c8cf3b113a435bf7559c8483312268be\">biosafety<\/a> and the use of biochemical instruments commonly used in clinical practice. The themes of the remaining eight classes involved specific experiments on clinical indicators of diabetes mellitus, liver cirrhosis, nephrotic syndrome, coronary atherosclerotic cardiopathy, pancreatitis, electrolyte disturbance, multiple myeloma, and hyperthyroidism. At the end of program, the lab examination was performed. Each experiment was conducted in three consecutive classes of 45\u2009minutes. A similar learning environment was maintained for both groups, i.e., lab classrooms, lecture times, assessment methods.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Test_group\">Test group<\/span><\/h4>\n<p>The laboratory training adopted a new student-centered training program that was divided into four stages. First, students had access to the case (with the questions) at least two to four\u2009days before the class and were asked to answer several basic questions individually about the case before the class, e.g., what the diagnosis is based on, what the detection indicators are, and what the the indicators of a certain inspection procedures for pre-analysis, analysis, and post-analysis are. The answers of each minor group were then shared in the class, and the students tried to reach a consensus among the groups, with the teachers\u2019 facilitation. This stage took approximately 30\u2009minutes. Second, it took 30\u2009minutes to learn principles, which was mainly an explanation of the current commonly used methods and principles. Third, it took 45\u2009minutes to improve their lab skills, including the evaluation of lab conditions, assessment of equipment conditions, use of internal control, and sample processing according to the standard operating procedure (SOP). Fourth, results were analyzed by combining the ISO 15189 requirements with the teaching contents to improve the operations in 30\u2009minutes. The main concern was the review and reporting of results. When abnormal or suspicious results occurred, the students were able to identify them. The teachers facilitated the entire process. If the results were not judged correctly, the teacher asked students to re-check the result until they met the re-inspection requirements, and the students analyzed whether the results could be issued. After that, the students were asked to conduct a quiz and an after-class survey.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Control_group\">Control group<\/span><\/h3>\n<p>The knowledge and theoretical outline of the clinical biochemistry course in the lectures was the same as that of the test group. Experimental teaching was implemented in a teacher-centered way. The teacher explained the principles, operation points, and medical significance, and then the students performed the experiment. A schematic diagram of the teaching mode between the two groups is shown in Figure 1.\n<\/p><p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Xu_BMCMedEd23_23.png\" class=\"image wiki-link\" data-key=\"b1383fd430b3e4d3828abd1e32e989c0\"><img alt=\"Fig1 Xu BMCMedEd23 23.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e6\/Fig1_Xu_BMCMedEd23_23.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 1<\/b> Schematic diagram of the pathway comparison between the new student-centred laboratory training program and the traditional training program in clinical biochemistry. SOP: Standard Operating Procedure; TTP: Total Testing Process; PDCA: Plan, Do, Check, Act.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Here is an example. Students became familiar with the clinical manifestations of a patient with recurrent systemic edema (finally diagnosed as nephrotic syndrome) two weeks before the class on that same topic. When the nephrotic syndrome was diagnosed, urinalysis, blood counts and coagulation panel, renal function and electrolytes, liver panel, and glucose tests were required. Students were asked to report why and how the test procedure for \u201ccreatine and urea\u201d in renal function was determined. Finally, students were then asked to discuss the examination process and medical significance, and analyze various factors that may affect the test result, including pre-pre-analysis (i.e., test selection, test ordering, patient\/specimen identification), pre-analysis (i.e., specimen collection, transportation, specimen processing, specimen preparation), analytic, post-analysis (i.e., report review, result reporting), and post-post-analysis (i.e., result interpretation) in accordance with the requirements of ISO 15189.<sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup> Then students made an operation plan according to the inspection process of the project, and the teachers evaluated and determined the testing procedure.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Outcome_evaluation\">Outcome evaluation<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Assessment_for_laboratory_operation\">Assessment for laboratory operation<\/span><\/h4>\n<p>To evaluate students\u2019 students\u2019 awareness of and ability to use quality management practices in TTP and other laboratory processes, evaluation indicators were designed as shown in Table 1.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> The evaluation system of the experimental operation.\n<\/td><\/tr>\n<tr>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Phase\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Detailed rules of evaluation index\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Grade weights and within area\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Percentages of total\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Evaluation mode\n<\/th><\/tr>\n<tr>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Pre-analytical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Familiarity with the clinical significance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">40%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Oral test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Familiarity with the clinical significance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Oral test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Principle of test indicator\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Paper test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Parameter setting according to the instructions of the kit\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td><\/tr>\n<tr>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Analytical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Check accommodation and environmental conditions, assess laboratory equipment\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">40%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Use of internal QC rules\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Oral test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Sample determination\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Oral test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Sample and reagent addition using the pipettes and micro-pipettors\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Records to be legible\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Instrument maintenance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td><\/tr>\n<tr>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Post-analytical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Results reporting\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">20%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Paper test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Results analysis and judgement: evaluate them in conformity with clinical information available regarding patient\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Paper test\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">* Communication with doctors\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5%\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Oral test\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span id=\"rdp-ebb-Assessment_of_students\u2019_course_scores\"><\/span><span class=\"mw-headline\" id=\"Assessment_of_students.E2.80.99_course_scores\">Assessment of students\u2019 course scores<\/span><\/h4>\n<p>The total course scores included four components: classroom performance, experimental evaluation, mid-term examination, and final examination (Table 2). Classroom performance includes attendance, attitude, completeness of assignment, and experiment report. The content of the experiment report includes four parts: how to determine the test procedure, test principle, precautions of the procedure, and results interpretation and analysis. The experimental evaluation was carried out in the last class. The eight items were numbered, and the students drew lots to determine which items to evaluate. The mid-term and final exams had terminology, short answers, and single-choice questions: 10 fill-in-the-blank (one point per question); five terminology (two points per question); four short-answer questions, including one case analysis (five points per question); and 60 single-choice (one point per question). Standard answers to all questions were defined by the instructor before the students\u2019 answers were graded.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Composition of clinical biochemistry course grades.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Component\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Specific definition\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Percentages\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Usual performance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Attendance, attitude, completion of assignment, experimental report, class participation online and offline\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">30%\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The laboratory evaluation\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Score using experimental evaluation system\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20%\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Mid-term examination\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Written examination\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20%\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Final exam\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Written examination\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">30%\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span class=\"mw-headline\" id=\"Questionnaire_survey\">Questionnaire survey<\/span><\/h4>\n<p>Curriculum evaluation is critical to continuous assurance of teaching quality.<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup> To assess the effectiveness and acceptability of implementing the four-stage experimental training program based on the ISO 15189 standard, in addition to the typical course evaluations, the students were asked to complete a survey about the course after finishing the course. An anonymous 10-question survey was created to develop a baseline of student achievement of goals in the class and the impact of teaching mode on learning (Table 3). The questions presented in the results section were discussed by all supervisors involved in this study to ensure their quality. Most of the survey questions were in Likert scale format, giving a statement on a scroll bar that the students could choose from \u201cStrongly Disagree\u201d to \u201cStrongly Agree\u201d on a scale of 1-5.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 3.<\/b> Questionnaire survey.\n<\/td><\/tr>\n<tr>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Objectives for the class\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I remember the test procedure.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I understand the principle of the test.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical cases help me understand the medical significance of examination.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I deeply understand the meaning of ISO 15189 requirements.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I agree with the idea of \u201cquality control is fundamental, quality management is the most important objective\u201d.\n<\/td><\/tr>\n<tr>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Impact of teaching mode on learning\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I will pay more attention to the influencing factors of test results in the pre-analytical and post-analytical processes.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I will keep records of every step of the experiment.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I will communicate with clinical staff and patients actively after examination.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I am interested and satisfied with the design of the teaching process.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">I hope the four-stage teaching model will be used in other courses.\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Statistical_analysis\">Statistical analysis<\/span><\/h3>\n<p>Means and standard deviations were calculated, and the differences were analyzed using an independent samples <i>t<\/i> test. A <i>p<\/i> value <\u20090.05 was considered to be statistically significant. Data are presented as the means \u00b1 SDs.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Comparison_of_laboratory_training_scores\">Comparison of laboratory training scores<\/span><\/h3>\n<p>A total of 357 students participated in this program, and 185 students (52%) attended a four-stage training program. A total of 314 students completed the post-class survey (88% response rate).\n<\/p><p>The experimental operation scores in four-stage training program classes were significantly higher than those of the traditional program classes of both grades (Fig. 2).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Xu_BMCMedEd23_23.png\" class=\"image wiki-link\" data-key=\"e57d496c03f575edf66a69c14e99e47a\"><img alt=\"Fig2 Xu BMCMedEd23 23.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/f\/f7\/Fig2_Xu_BMCMedEd23_23.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 2<\/b> Comparison of laboratory training scores (<sup>*<\/sup><i>P<\/i>\u2009<\u20090.05)<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Comparison_of_total_course_scores\">Comparison of total course scores<\/span><\/h3>\n<p>The students\u2019 scores for this course in the test groups were significantly higher than those in the control groups in 2019 and 2020 (Fig. 3).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Xu_BMCMedEd23_23.png\" class=\"image wiki-link\" data-key=\"d4cacd669f5daa68513a318c2168eb4c\"><img alt=\"Fig3 Xu BMCMedEd23 23.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/7e\/Fig3_Xu_BMCMedEd23_23.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 3<\/b> Comparison of total course scores (<sup>*<\/sup><i>P<\/i>\u2009<\u20090.05)<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Survey_results\">Survey results<\/span><\/h3>\n<p>The accumulative score on the survey questions on learning for the students in the test group was higher than that for the students in the control group either about objectives or the impact of teaching mode on learning (Table 4). Students in the testing group agreed that they remembered the testing procedure, understood the testing principle and the medical significance, understood the connotation of ISO 15189 requirements, and agreed that quality management is more important than QC. Fewer students in the control group agreed. More students were interested and satisfied with this new student-centered teaching mode. Meanwhile, more students would like the teaching model to be used in other courses.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"5\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 4.<\/b> Questionnaire survey comparison.\n<\/td><\/tr>\n<tr>\n<th rowspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Survey objectives\n<\/th>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Aggregate score\n<\/th>\n<th rowspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\"><i>t<\/i> value\n<\/th>\n<th rowspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\"><i>P<\/i> value\n<\/th><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Test group (<i>n<\/i>\u2009=\u2009160)\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Control group (<i>n<\/i>\u2009=\u2009154)\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Achievement of curriculum objectives\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">22.64 \u00b1 2.58\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18.31 \u00b1 3.97\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11.41\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><\u20090.05\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Impact of teaching mode on learning\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">23.21 \u00b1 2.04\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">19.77 \u00b1 3.69\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10.17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><\u20090.05\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<p>Clinical biochemistry belongs to the field of medical technology and involves various techniques and methods for analyzing the chemical components of body fluid samples.<sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup> To do well in the clinical biochemistry course, students will undergo rigorous clinical laboratory practical training and gain valuable practical experience in sample handling and instrumentation. Ensuring the accuracy of test results and understanding the medical significance of laboratory tests are important for students who major in medical laboratories. There are many obstacles to teaching clinical chemistry and laboratory medicine, such as the lack of interactive or hands-on teaching models.<sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup> In this study, we designed a new student-centered training program with four stages based on CBL considering TTP, including pre-analytical, analytical, and post-analytical stages. The participating teachers were asked to provide clinical cases related to clinical biochemistry, design questions according to the experimental objectives, and upload to the DingTalk group before class. Reaction curves on an automated biochemical analyzer were also provided. CBL requires students to prepare well in advance, which may be considered an additional burden if they are not yet familiar with the subject of the course.<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-26\" class=\"reference\"><a href=\"#cite_note-26\">[26]<\/a><\/sup> The authors suggest that CBL should be actively adopted for courses that are delivered in the final stage of the program. The quality of students\u2019 previews directly affects the learning effect of each stage. In particular, the determination of the process of the first stage of the inspection program process and the analysis of errors in the final stage from pre-analysis to post-analysis.\n<\/p><p>Our new student-centered training strategy has a positive effect on both the achievement of class goals and the impact of teaching mode on learning. It has several advantages over traditional teaching methods. First, it helps students combine the theory with complicated clinical situations. With cases as a bridge, to explore as a driving force, students can integrate their knowledge and adapt to clinical practice. Second, under the new training evaluation system, students pay more attention to the management of the entire testing process rather than on the QC of the analysis, as the error rate of the analysis is lower than that of the pre-analysis and post-analysis of the TTP. Third, by analyzing the experimental results and unconsciously recording the test process, ISO 15189 concepts of continuous improvement were implanted, thereby putting the concept of plan\u2013do\u2013check\u2013act (PDCA) into practice, developing recording habits, and improving communication skills.\n<\/p><p>While the program has already produced very positive results, there are many improvements and additions that could be made. The first would be to check students\u2019 familiarity with the case before the class. Otherwise, the first stage of the study time could be extended. In addition, multiple discipline inspection items, such as <a href=\"https:\/\/www.limswiki.org\/index.php\/Immunology\" title=\"Immunology\" class=\"wiki-link\" data-key=\"da0f4b59081f92df2c16fcfb965ba7c8\">immunology<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Microbiology\" title=\"Microbiology\" class=\"wiki-link\" data-key=\"920bf32dc9c9cf492c58c4c5484df41f\">microbiology<\/a>, and clinical examination, should be considered based on the symptoms of each patient. Different assignments of students may affect the course sores between the two groups.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusion\">Conclusion<\/span><\/h2>\n<p>In summary, our experience suggests that this new student-centered experimental teaching strategy based on CBL is more effective and acceptable than the conventional experimental teaching mode in the clinical biochemistry course.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>CBL<\/b>: case-based learning<\/li>\n<li><b>IFCC<\/b>: International Federation of Clinical Chemistry<\/li>\n<li><b>ISO<\/b>: International Organization for Standardization<\/li>\n<li><b>LBL<\/b>: lecture-based learning<\/li>\n<li><b>OSCE<\/b>: Objective Structure Clinic Examination<\/li>\n<li><b>PBL<\/b>: problem-based learning<\/li>\n<li><b>PDCA<\/b>: plan\u2013do\u2013check\u2013act<\/li>\n<li><b>QC<\/b>: quality control<\/li>\n<li><b>SOP<\/b>: standard operating procedure<\/li>\n<li><b>TTP<\/b>: total testing process<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The authors thank all the students who participated in the study.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>Guoying Xu, Chuanxiang Zhao, Mengdan Yan, Xiaoxian Zhang, Ling Zhu, Jiaxiu Liu, and Qixiang Shao conceived the training program. Yuzhang Jiang, Yaping Zhao and Hongxiang Xie put forward many suggestions during the implementation of the program. Guoying Xu, Yuling Zhang and Qixiang Shao performed the analysis and interpreted the data. Guoying Xu wrote the original graft. Weili Cai and Qixiang Shao helped organize and revise the manuscript. All authors read and approved the final manuscript. Guoying Xu and Xiaoxian Zhang are the funding recipients. All authors contributed to the article and approved the submitted version.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Ethics_approval_and_consent_to_participate\">Ethics approval and consent to participate<\/span><\/h3>\n<p>This study was performed in accordance with the Declaration of Helsinki. It was approved by the Ethics Committee of Huai\u2019an First People\u2019s Hospital. Informed consent was obtained from all subjects.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>This work was supported by the fifth issue of Jiangsu Province Vocational Education Teaching Reform Research Project (ZYB545), Program of China Vocational Education Society (ZJS2022YB214), and Program of the Key Laboratory Construction of Innovation Service Capacity Construction Plan of Huai \u2018an Science and Technology Bureau (HAP202004).\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Availability_of_data_and_materials\">Availability of data and materials<\/span><\/h3>\n<p>The datasets used and\/or analyzed in this study are available from the corresponding authors on reasonable request.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>The authors declare that they have no competing interests.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Durner, J\u00fcrgen (29 December 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.200903363\" target=\"_blank\">\"Clinical Chemistry: Challenges for Analytical Chemistry and the Nanosciences from Medicine\"<\/a> (in en). <i>Angewandte Chemie International Edition<\/i> <b>49<\/b> (6): 1026\u20131051. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fanie.200903363\" target=\"_blank\">10.1002\/anie.200903363<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.200903363\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.200903363<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Clinical+Chemistry%3A+Challenges+for+Analytical+Chemistry+and+the+Nanosciences+from+Medicine&rft.jtitle=Angewandte+Chemie+International+Edition&rft.aulast=Durner&rft.aufirst=J%C3%BCrgen&rft.au=Durner%2C%26%2332%3BJ%C3%BCrgen&rft.date=29+December+2009&rft.volume=49&rft.issue=6&rft.pages=1026%E2%80%931051&rft_id=info:doi\/10.1002%2Fanie.200903363&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fanie.200903363&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-2\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-2\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Silverstein, M.D. (3 April 2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.researchgate.net\/profile\/Marc-Silverstein\/publication\/237739475_An_Approach_to_Medical_Errors_and_Patient_Safety_in_Laboratory_Services_A_White_Paper_Prepared_for_the_Quality_Institute_Meeting_Making_the_Laboratory_a_Partner_in_Patient_Safety_Atlanta_April_2003_Di\/links\/0deec53a04e183b191000000\/An-Approach-to-Medical-Errors-and-Patient-Safety-in-Laboratory-Services-A-White-Paper-Prepared-for-the-Quality-Institute-Meeting-Making-the-Laboratory-a-Partner-in-Patient-Safety-Atlanta-April-2003-D.pdf\" target=\"_blank\">\"An Approach to Medical Errors and Patient Safety in Laboratory Services: A White Paper Prepared for the Quality Institute Meeting \"Making the Laboratory a Partner in Patient Safety,\" Atlanta, April 2003\"<\/a> (PDF). Centers for Disease Control and Prevention<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.researchgate.net\/profile\/Marc-Silverstein\/publication\/237739475_An_Approach_to_Medical_Errors_and_Patient_Safety_in_Laboratory_Services_A_White_Paper_Prepared_for_the_Quality_Institute_Meeting_Making_the_Laboratory_a_Partner_in_Patient_Safety_Atlanta_April_2003_Di\/links\/0deec53a04e183b191000000\/An-Approach-to-Medical-Errors-and-Patient-Safety-in-Laboratory-Services-A-White-Paper-Prepared-for-the-Quality-Institute-Meeting-Making-the-Laboratory-a-Partner-in-Patient-Safety-Atlanta-April-2003-D.pdf\" target=\"_blank\">https:\/\/www.researchgate.net\/profile\/Marc-Silverstein\/publication\/237739475_An_Approach_to_Medical_Errors_and_Patient_Safety_in_Laboratory_Services_A_White_Paper_Prepared_for_the_Quality_Institute_Meeting_Making_the_Laboratory_a_Partner_in_Patient_Safety_Atlanta_April_2003_Di\/links\/0deec53a04e183b191000000\/An-Approach-to-Medical-Errors-and-Patient-Safety-in-Laboratory-Services-A-White-Paper-Prepared-for-the-Quality-Institute-Meeting-Making-the-Laboratory-a-Partner-in-Patient-Safety-Atlanta-April-2003-D.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=An+Approach+to+Medical+Errors+and+Patient+Safety+in+Laboratory+Services%3A+A+White+Paper+Prepared+for+the+Quality+Institute+Meeting+%22Making+the+Laboratory+a+Partner+in+Patient+Safety%2C%22+Atlanta%2C+April+2003&rft.atitle=&rft.aulast=Silverstein%2C+M.D.&rft.au=Silverstein%2C+M.D.&rft.date=3+April+2003&rft.pub=Centers+for+Disease+Control+and+Prevention&rft_id=https%3A%2F%2Fwww.researchgate.net%2Fprofile%2FMarc-Silverstein%2Fpublication%2F237739475_An_Approach_to_Medical_Errors_and_Patient_Safety_in_Laboratory_Services_A_White_Paper_Prepared_for_the_Quality_Institute_Meeting_Making_the_Laboratory_a_Partner_in_Patient_Safety_Atlanta_April_2003_Di%2Flinks%2F0deec53a04e183b191000000%2FAn-Approach-to-Medical-Errors-and-Patient-Safety-in-Laboratory-Services-A-White-Paper-Prepared-for-the-Quality-Institute-Meeting-Making-the-Laboratory-a-Partner-in-Patient-Safety-Atlanta-April-2003-D.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span 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style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-4\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-4\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lippi, Giuseppe; Mattiuzzi, Camilla; Bovo, Chiara (5 February 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/jlpm.amegroups.com\/article\/view\/3992\/4747\" target=\"_blank\">\"Are we getting better at the preanalytical phase or just better at measuring it?\"<\/a>. <i>Journal of Laboratory and Precision Medicine<\/i> <b>3<\/b>: 11\u201311. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21037%2Fjlpm.2018.01.03\" target=\"_blank\">10.21037\/jlpm.2018.01.03<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/jlpm.amegroups.com\/article\/view\/3992\/4747\" target=\"_blank\">http:\/\/jlpm.amegroups.com\/article\/view\/3992\/4747<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Are+we+getting+better+at+the+preanalytical+phase+or+just+better+at+measuring+it%3F&rft.jtitle=Journal+of+Laboratory+and+Precision+Medicine&rft.aulast=Lippi&rft.aufirst=Giuseppe&rft.au=Lippi%2C%26%2332%3BGiuseppe&rft.au=Mattiuzzi%2C%26%2332%3BCamilla&rft.au=Bovo%2C%26%2332%3BChiara&rft.date=5+February+2018&rft.volume=3&rft.pages=11%E2%80%9311&rft_id=info:doi\/10.21037%2Fjlpm.2018.01.03&rft_id=http%3A%2F%2Fjlpm.amegroups.com%2Farticle%2Fview%2F3992%2F4747&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-5\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-5\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">International Organization for Standardization (November 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.iso.org\/standard\/56115.html\" target=\"_blank\">\"ISO 15189:2012 Medical laboratories \u2014 Requirements for quality and competence\"<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.iso.org\/standard\/56115.html\" target=\"_blank\">https:\/\/www.iso.org\/standard\/56115.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=ISO+15189%3A2012+Medical+laboratories+%E2%80%94+Requirements+for+quality+and+competence&rft.atitle=&rft.aulast=International+Organization+for+Standardization&rft.au=International+Organization+for+Standardization&rft.date=November+2012&rft_id=https%3A%2F%2Fwww.iso.org%2Fstandard%2F56115.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-6\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-6\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Aslan, Diler (5 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6295584\/\" target=\"_blank\">\"Which Skills are Needed and How They Should be Gained by Laboratory Medicine Professionals for Successful ISO 15189 Accreditation\"<\/a>. <i>EJIFCC<\/i> <b>29<\/b> (4): 264\u2013273. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1650-3414\" target=\"_blank\">1650-3414<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/6295584\/\" target=\"_blank\">6295584<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30574036\" target=\"_blank\">30574036<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6295584\/\" target=\"_blank\">https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6295584\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Which+Skills+are+Needed+and+How+They+Should+be+Gained+by+Laboratory+Medicine+Professionals+for+Successful+ISO+15189+Accreditation&rft.jtitle=EJIFCC&rft.aulast=Aslan&rft.aufirst=Diler&rft.au=Aslan%2C%26%2332%3BDiler&rft.date=5+December+2018&rft.volume=29&rft.issue=4&rft.pages=264%E2%80%93273&rft.issn=1650-3414&rft_id=info:pmc\/6295584&rft_id=info:pmid\/30574036&rft_id=https%3A%2F%2Fwww.ncbi.nlm.nih.gov%2Fpmc%2Farticles%2FPMC6295584%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-7\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-7\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Oderinu, Olabisi H.; Adegbulugbe, Ilemobade C.; Orenuga, Omolola. O.; Butali, Azeez (1 May 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/eje.12486\" target=\"_blank\">\"Comparison of students' perception of problem\u2010based learning and traditional teaching method in a Nigerian dental school\"<\/a> (in en). <i>European Journal of Dental Education<\/i> <b>24<\/b> (2): 207\u2013212. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Feje.12486\" target=\"_blank\">10.1111\/eje.12486<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1396-5883\" target=\"_blank\">1396-5883<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/eje.12486\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/eje.12486<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Comparison+of+students%27+perception+of+problem%E2%80%90based+learning+and+traditional+teaching+method+in+a+Nigerian+dental+school&rft.jtitle=European+Journal+of+Dental+Education&rft.aulast=Oderinu&rft.aufirst=Olabisi+H.&rft.au=Oderinu%2C%26%2332%3BOlabisi+H.&rft.au=Adegbulugbe%2C%26%2332%3BIlemobade+C.&rft.au=Orenuga%2C%26%2332%3BOmolola.+O.&rft.au=Butali%2C%26%2332%3BAzeez&rft.date=1+May+2020&rft.volume=24&rft.issue=2&rft.pages=207%E2%80%93212&rft_id=info:doi\/10.1111%2Feje.12486&rft.issn=1396-5883&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2Feje.12486&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Vadakedath, Sabitha; Kandi, Venkataramana (16 August 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.cureus.com\/articles\/22339-modified-conventional-teaching-an-assessment-of-clinical-biochemistry-learning-process-among-medical-undergraduate-students-using-the-traditional-teaching-in-combination-with-group-discussion\" target=\"_blank\">\"Modified Conventional Teaching: An Assessment of Clinical Biochemistry Learning Process Among Medical Undergraduate Students Using the Traditional Teaching in Combination with Group Discussion\"<\/a> (in en). <i>Cureus<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.7759%2Fcureus.5396\" target=\"_blank\">10.7759\/cureus.5396<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2168-8184\" target=\"_blank\">2168-8184<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6793614\/\" target=\"_blank\">PMC6793614<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31620321\" target=\"_blank\">31620321<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.cureus.com\/articles\/22339-modified-conventional-teaching-an-assessment-of-clinical-biochemistry-learning-process-among-medical-undergraduate-students-using-the-traditional-teaching-in-combination-with-group-discussion\" target=\"_blank\">https:\/\/www.cureus.com\/articles\/22339-modified-conventional-teaching-an-assessment-of-clinical-biochemistry-learning-process-among-medical-undergraduate-students-using-the-traditional-teaching-in-combination-with-group-discussion<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Modified+Conventional+Teaching%3A+An+Assessment+of+Clinical+Biochemistry+Learning+Process+Among+Medical+Undergraduate+Students+Using+the+Traditional+Teaching+in+Combination+with+Group+Discussion&rft.jtitle=Cureus&rft.aulast=Vadakedath&rft.aufirst=Sabitha&rft.au=Vadakedath%2C%26%2332%3BSabitha&rft.au=Kandi%2C%26%2332%3BVenkataramana&rft.date=16+August+2019&rft_id=info:doi\/10.7759%2Fcureus.5396&rft.issn=2168-8184&rft_id=info:pmc\/PMC6793614&rft_id=info:pmid\/31620321&rft_id=https%3A%2F%2Fwww.cureus.com%2Farticles%2F22339-modified-conventional-teaching-an-assessment-of-clinical-biochemistry-learning-process-among-medical-undergraduate-students-using-the-traditional-teaching-in-combination-with-group-discussion&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fatima, Syeda; Liaquat, Afrose; Mansoor, Sumreena; Rauf, Ayesh; Fatima, Syeda (2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ejmanager.com\/fulltextpdf.php?mno=17645\" target=\"_blank\">\"Clinical biochemistry teaching: use of peer debriefing by Pendleton's rule as an instructional tool\"<\/a>. <i>Journal of the Pakistan Medical Association<\/i> (0): 1. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5455%2FJPMA.17645\" target=\"_blank\">10.5455\/JPMA.17645<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0030-9982\" target=\"_blank\">0030-9982<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ejmanager.com\/fulltextpdf.php?mno=17645\" target=\"_blank\">https:\/\/www.ejmanager.com\/fulltextpdf.php?mno=17645<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Clinical+biochemistry+teaching%3A+use+of+peer+debriefing+by+Pendleton%27s+rule+as+an+instructional+tool&rft.jtitle=Journal+of+the+Pakistan+Medical+Association&rft.aulast=Fatima&rft.aufirst=Syeda&rft.au=Fatima%2C%26%2332%3BSyeda&rft.au=Liaquat%2C%26%2332%3BAfrose&rft.au=Mansoor%2C%26%2332%3BSumreena&rft.au=Rauf%2C%26%2332%3BAyesh&rft.au=Fatima%2C%26%2332%3BSyeda&rft.date=2020&rft.issue=0&rft.pages=1&rft_id=info:doi\/10.5455%2FJPMA.17645&rft.issn=0030-9982&rft_id=https%3A%2F%2Fwww.ejmanager.com%2Ffulltextpdf.php%3Fmno%3D17645&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Alamoudi, Aliaa Amr; Al Shawwa, Lana Adey; Gad, Hoda; Tekian, Ara (1 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iubmb.onlinelibrary.wiley.com\/doi\/10.1002\/bmb.21501\" target=\"_blank\">\"Team\u2010based learning versus traditional didactic lectures in teaching clinical biochemistry at King Abdulaziz University; learning outcomes and student satisfaction\"<\/a> (in en). <i>Biochemistry and Molecular Biology Education<\/i> <b>49<\/b> (4): 546\u2013559. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fbmb.21501\" target=\"_blank\">10.1002\/bmb.21501<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1470-8175\" target=\"_blank\">1470-8175<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iubmb.onlinelibrary.wiley.com\/doi\/10.1002\/bmb.21501\" target=\"_blank\">https:\/\/iubmb.onlinelibrary.wiley.com\/doi\/10.1002\/bmb.21501<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Team%E2%80%90based+learning+versus+traditional+didactic+lectures+in+teaching+clinical+biochemistry+at+King+Abdulaziz+University%3B+learning+outcomes+and+student+satisfaction&rft.jtitle=Biochemistry+and+Molecular+Biology+Education&rft.aulast=Alamoudi&rft.aufirst=Aliaa+Amr&rft.au=Alamoudi%2C%26%2332%3BAliaa+Amr&rft.au=Al+Shawwa%2C%26%2332%3BLana+Adey&rft.au=Gad%2C%26%2332%3BHoda&rft.au=Tekian%2C%26%2332%3BAra&rft.date=1+July+2021&rft.volume=49&rft.issue=4&rft.pages=546%E2%80%93559&rft_id=info:doi\/10.1002%2Fbmb.21501&rft.issn=1470-8175&rft_id=https%3A%2F%2Fiubmb.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fbmb.21501&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhao, Wanjun; He, Linye; Deng, Wenyi; Zhu, Jingqiang; Su, Anping; Zhang, Yong (1 December 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-020-02306-y\" target=\"_blank\">\"The effectiveness of the combined problem-based learning (PBL) and case-based learning (CBL) teaching method in the clinical practical teaching of thyroid disease\"<\/a> (in en). <i>BMC Medical Education<\/i> <b>20<\/b> (1): 381. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12909-020-02306-y\" target=\"_blank\">10.1186\/s12909-020-02306-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-6920\" target=\"_blank\">1472-6920<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7583209\/\" target=\"_blank\">PMC7583209<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33092583\" target=\"_blank\">33092583<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-020-02306-y\" target=\"_blank\">https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-020-02306-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+effectiveness+of+the+combined+problem-based+learning+%28PBL%29+and+case-based+learning+%28CBL%29+teaching+method+in+the+clinical+practical+teaching+of+thyroid+disease&rft.jtitle=BMC+Medical+Education&rft.aulast=Zhao&rft.aufirst=Wanjun&rft.au=Zhao%2C%26%2332%3BWanjun&rft.au=He%2C%26%2332%3BLinye&rft.au=Deng%2C%26%2332%3BWenyi&rft.au=Zhu%2C%26%2332%3BJingqiang&rft.au=Su%2C%26%2332%3BAnping&rft.au=Zhang%2C%26%2332%3BYong&rft.date=1+December+2020&rft.volume=20&rft.issue=1&rft.pages=381&rft_id=info:doi\/10.1186%2Fs12909-020-02306-y&rft.issn=1472-6920&rft_id=info:pmc\/PMC7583209&rft_id=info:pmid\/33092583&rft_id=https%3A%2F%2Fbmcmededuc.biomedcentral.com%2Farticles%2F10.1186%2Fs12909-020-02306-y&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Novack, Jeffrey P. (27 May 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.frontiersin.org\/article\/10.3389\/fimmu.2020.00995\/full\" target=\"_blank\">\"Designing Cases for Case-Based Immunology Teaching in Large Medical School Classes\"<\/a>. <i>Frontiers in Immunology<\/i> <b>11<\/b>: 995. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3389%2Ffimmu.2020.00995\" target=\"_blank\">10.3389\/fimmu.2020.00995<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1664-3224\" target=\"_blank\">1664-3224<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7267000\/\" target=\"_blank\">PMC7267000<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32536919\" target=\"_blank\">32536919<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.frontiersin.org\/article\/10.3389\/fimmu.2020.00995\/full\" target=\"_blank\">https:\/\/www.frontiersin.org\/article\/10.3389\/fimmu.2020.00995\/full<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Designing+Cases+for+Case-Based+Immunology+Teaching+in+Large+Medical+School+Classes&rft.jtitle=Frontiers+in+Immunology&rft.aulast=Novack&rft.aufirst=Jeffrey+P.&rft.au=Novack%2C%26%2332%3BJeffrey+P.&rft.date=27+May+2020&rft.volume=11&rft.pages=995&rft_id=info:doi\/10.3389%2Ffimmu.2020.00995&rft.issn=1664-3224&rft_id=info:pmc\/PMC7267000&rft_id=info:pmid\/32536919&rft_id=https%3A%2F%2Fwww.frontiersin.org%2Farticle%2F10.3389%2Ffimmu.2020.00995%2Ffull&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-13\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_13-0\">13.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_13-1\">13.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Williams, B (1 August 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/emj.bmj.com\/lookup\/doi\/10.1136\/emj.2004.022707\" target=\"_blank\">\"Case based learning--a review of the literature: is there scope for this educational paradigm in prehospital education?\"<\/a> (in en). <i>Emergency Medicine Journal<\/i> <b>22<\/b> (8): 577\u2013581. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1136%2Femj.2004.022707\" target=\"_blank\">10.1136\/emj.2004.022707<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-0205\" target=\"_blank\">1472-0205<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC1726887\/\" target=\"_blank\">PMC1726887<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/16046764\" target=\"_blank\">16046764<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/emj.bmj.com\/lookup\/doi\/10.1136\/emj.2004.022707\" target=\"_blank\">https:\/\/emj.bmj.com\/lookup\/doi\/10.1136\/emj.2004.022707<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Case+based+learning--a+review+of+the+literature%3A+is+there+scope+for+this+educational+paradigm+in+prehospital+education%3F&rft.jtitle=Emergency+Medicine+Journal&rft.aulast=Williams&rft.aufirst=B&rft.au=Williams%2C%26%2332%3BB&rft.date=1+August+2005&rft.volume=22&rft.issue=8&rft.pages=577%E2%80%93581&rft_id=info:doi\/10.1136%2Femj.2004.022707&rft.issn=1472-0205&rft_id=info:pmc\/PMC1726887&rft_id=info:pmid\/16046764&rft_id=https%3A%2F%2Femj.bmj.com%2Flookup%2Fdoi%2F10.1136%2Femj.2004.022707&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Nair, Sandhya Pillai (2013). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.jcdr.net\/article_fulltext.asp?issn=0973-709x&year=2013&volume=7&issue=8&page=1576&issn=0973-709x&id=3212\" target=\"_blank\">\"Case Based Learning: A Method for Better Understanding of Biochemistry in Medical Students\"<\/a>. <i>JOURNAL OF CLINICAL AND DIAGNOSTIC RESEARCH<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.7860%2FJCDR%2F2013%2F5795.3212\" target=\"_blank\">10.7860\/JCDR\/2013\/5795.3212<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3782900\/\" target=\"_blank\">PMC3782900<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/24086843\" target=\"_blank\">24086843<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.jcdr.net\/article_fulltext.asp?issn=0973-709x&year=2013&volume=7&issue=8&page=1576&issn=0973-709x&id=3212\" target=\"_blank\">http:\/\/www.jcdr.net\/article_fulltext.asp?issn=0973-709x&year=2013&volume=7&issue=8&page=1576&issn=0973-709x&id=3212<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Case+Based+Learning%3A+A+Method+for+Better+Understanding+of+Biochemistry+in+Medical+Students&rft.jtitle=JOURNAL+OF+CLINICAL+AND+DIAGNOSTIC+RESEARCH&rft.aulast=Nair&rft.aufirst=Sandhya+Pillai&rft.au=Nair%2C%26%2332%3BSandhya+Pillai&rft.date=2013&rft_id=info:doi\/10.7860%2FJCDR%2F2013%2F5795.3212&rft_id=info:pmc\/PMC3782900&rft_id=info:pmid\/24086843&rft_id=http%3A%2F%2Fwww.jcdr.net%2Farticle_fulltext.asp%3Fissn%3D0973-709x%26year%3D2013%26volume%3D7%26issue%3D8%26page%3D1576%26issn%3D0973-709x%26id%3D3212&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cen, X.-Y.; Hua, Y.; Niu, S.; Yu, T. (1 April 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/doi.org\/10.26355\/eurrev_202104_25726\" target=\"_blank\">\"Application of case-based learning in medical student education: a meta-analysis\"<\/a>. <i>European Review for Medical and Pharmacological Sciences<\/i> <b>25<\/b> (8): 3173\u20133181. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.26355%2Feurrev_202104_25726\" target=\"_blank\">10.26355\/eurrev_202104_25726<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1128-3602\" target=\"_blank\">1128-3602<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.26355\/eurrev_202104_25726\" target=\"_blank\">https:\/\/doi.org\/10.26355\/eurrev_202104_25726<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Application+of+case-based+learning+in+medical+student+education%3A+a+meta-analysis&rft.jtitle=European+Review+for+Medical+and+Pharmacological+Sciences&rft.aulast=Cen&rft.aufirst=X.-Y.&rft.au=Cen%2C%26%2332%3BX.-Y.&rft.au=Hua%2C%26%2332%3BY.&rft.au=Niu%2C%26%2332%3BS.&rft.au=Yu%2C%26%2332%3BT.&rft.date=1+April+2021&rft.volume=25&rft.issue=8&rft.pages=3173%E2%80%933181&rft_id=info:doi\/10.26355%2Feurrev_202104_25726&rft.issn=1128-3602&rft_id=https%3A%2F%2Fdoi.org%2F10.26355%2Feurrev_202104_25726&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McLean, Susan F. (1 January 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.sagepub.com\/doi\/10.4137\/JMECD.S20377\" target=\"_blank\">\"Case-Based Learning and its Application in Medical and Health-Care Fields: A Review of Worldwide Literature\"<\/a> (in en). <i>Journal of Medical Education and Curricular Development<\/i> <b>3<\/b>: JMECD.S20377. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4137%2FJMECD.S20377\" target=\"_blank\">10.4137\/JMECD.S20377<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2382-1205\" target=\"_blank\">2382-1205<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5736264\/\" target=\"_blank\">PMC5736264<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29349306\" target=\"_blank\">29349306<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.sagepub.com\/doi\/10.4137\/JMECD.S20377\" target=\"_blank\">http:\/\/journals.sagepub.com\/doi\/10.4137\/JMECD.S20377<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Case-Based+Learning+and+its+Application+in+Medical+and+Health-Care+Fields%3A+A+Review+of+Worldwide+Literature&rft.jtitle=Journal+of+Medical+Education+and+Curricular+Development&rft.aulast=McLean&rft.aufirst=Susan+F.&rft.au=McLean%2C%26%2332%3BSusan+F.&rft.date=1+January+2016&rft.volume=3&rft.pages=JMECD.S20377&rft_id=info:doi\/10.4137%2FJMECD.S20377&rft.issn=2382-1205&rft_id=info:pmc\/PMC5736264&rft_id=info:pmid\/29349306&rft_id=http%3A%2F%2Fjournals.sagepub.com%2Fdoi%2F10.4137%2FJMECD.S20377&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Krupat, Edward; Richards, Jeremy B.; Sullivan, Amy M.; Fleenor, Thomas J.; Schwartzstein, Richard M. (1 May 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/journals.lww.com\/00001888-201605000-00035\" target=\"_blank\">\"Assessing the Effectiveness of Case-Based Collaborative Learning via Randomized Controlled Trial\"<\/a> (in en). <i>Academic Medicine<\/i> <b>91<\/b> (5): 723\u2013729. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1097%2FACM.0000000000001004\" target=\"_blank\">10.1097\/ACM.0000000000001004<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1040-2446\" target=\"_blank\">1040-2446<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/journals.lww.com\/00001888-201605000-00035\" target=\"_blank\">https:\/\/journals.lww.com\/00001888-201605000-00035<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Assessing+the+Effectiveness+of+Case-Based+Collaborative+Learning+via+Randomized+Controlled+Trial&rft.jtitle=Academic+Medicine&rft.aulast=Krupat&rft.aufirst=Edward&rft.au=Krupat%2C%26%2332%3BEdward&rft.au=Richards%2C%26%2332%3BJeremy+B.&rft.au=Sullivan%2C%26%2332%3BAmy+M.&rft.au=Fleenor%2C%26%2332%3BThomas+J.&rft.au=Schwartzstein%2C%26%2332%3BRichard+M.&rft.date=1+May+2016&rft.volume=91&rft.issue=5&rft.pages=723%E2%80%93729&rft_id=info:doi\/10.1097%2FACM.0000000000001004&rft.issn=1040-2446&rft_id=https%3A%2F%2Fjournals.lww.com%2F00001888-201605000-00035&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Chonkar, Sonali Prashant; Ha, Tam Cam; Chu, Sarah Shan Hang; Ng, Ada Xinhui; Lim, Melissa Li Shan; Ee, Tat Xin; Ng, Mor Jack; Tan, Kok Hian (1 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-018-1122-5\" target=\"_blank\">\"The predominant learning approaches of medical students\"<\/a> (in en). <i>BMC Medical Education<\/i> <b>18<\/b> (1): 17. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12909-018-1122-5\" target=\"_blank\">10.1186\/s12909-018-1122-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-6920\" target=\"_blank\">1472-6920<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5774125\/\" target=\"_blank\">PMC5774125<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29347934\" target=\"_blank\">29347934<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-018-1122-5\" target=\"_blank\">https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-018-1122-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+predominant+learning+approaches+of+medical+students&rft.jtitle=BMC+Medical+Education&rft.aulast=Chonkar&rft.aufirst=Sonali+Prashant&rft.au=Chonkar%2C%26%2332%3BSonali+Prashant&rft.au=Ha%2C%26%2332%3BTam+Cam&rft.au=Chu%2C%26%2332%3BSarah+Shan+Hang&rft.au=Ng%2C%26%2332%3BAda+Xinhui&rft.au=Lim%2C%26%2332%3BMelissa+Li+Shan&rft.au=Ee%2C%26%2332%3BTat+Xin&rft.au=Ng%2C%26%2332%3BMor+Jack&rft.au=Tan%2C%26%2332%3BKok+Hian&rft.date=1+December+2018&rft.volume=18&rft.issue=1&rft.pages=17&rft_id=info:doi\/10.1186%2Fs12909-018-1122-5&rft.issn=1472-6920&rft_id=info:pmc\/PMC5774125&rft_id=info:pmid\/29347934&rft_id=https%3A%2F%2Fbmcmededuc.biomedcentral.com%2Farticles%2F10.1186%2Fs12909-018-1122-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Turk, Bela; Ertl, Sebastian; Wong, Guoruey; Wadowski, Patricia P.; L\u00f6ffler-Stastka, Henriette (1 December 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-019-1884-4\" target=\"_blank\">\"Does case-based blended-learning expedite the transfer of declarative knowledge to procedural knowledge in practice?\"<\/a> (in en). <i>BMC Medical Education<\/i> <b>19<\/b> (1): 447. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12909-019-1884-4\" target=\"_blank\">10.1186\/s12909-019-1884-4<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-6920\" target=\"_blank\">1472-6920<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6889574\/\" target=\"_blank\">PMC6889574<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31796049\" target=\"_blank\">31796049<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-019-1884-4\" target=\"_blank\">https:\/\/bmcmededuc.biomedcentral.com\/articles\/10.1186\/s12909-019-1884-4<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Does+case-based+blended-learning+expedite+the+transfer+of+declarative+knowledge+to+procedural+knowledge+in+practice%3F&rft.jtitle=BMC+Medical+Education&rft.aulast=Turk&rft.aufirst=Bela&rft.au=Turk%2C%26%2332%3BBela&rft.au=Ertl%2C%26%2332%3BSebastian&rft.au=Wong%2C%26%2332%3BGuoruey&rft.au=Wadowski%2C%26%2332%3BPatricia+P.&rft.au=L%C3%B6ffler-Stastka%2C%26%2332%3BHenriette&rft.date=1+December+2019&rft.volume=19&rft.issue=1&rft.pages=447&rft_id=info:doi\/10.1186%2Fs12909-019-1884-4&rft.issn=1472-6920&rft_id=info:pmc\/PMC6889574&rft_id=info:pmid\/31796049&rft_id=https%3A%2F%2Fbmcmededuc.biomedcentral.com%2Farticles%2F10.1186%2Fs12909-019-1884-4&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Spicer, Jennifer O.; Nguyen, Trong Tien; Arnold, Margaret W.; Anderson, Tiffany; Khalife, Roy (17 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.mededportal.org\/doi\/10.15766\/mep_2374-8265.11126\" target=\"_blank\">\"A Faculty Development Workshop for Planning and Implementing Interactive Virtual Case-Based Teaching\"<\/a> (in en). <i>MedEdPORTAL<\/i>: 11126. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.15766%2Fmep_2374-8265.11126\" target=\"_blank\">10.15766\/mep_2374-8265.11126<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2374-8265\" target=\"_blank\">2374-8265<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7970636\/\" target=\"_blank\">PMC7970636<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33768155\" target=\"_blank\">33768155<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.mededportal.org\/doi\/10.15766\/mep_2374-8265.11126\" target=\"_blank\">http:\/\/www.mededportal.org\/doi\/10.15766\/mep_2374-8265.11126<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Faculty+Development+Workshop+for+Planning+and+Implementing+Interactive+Virtual+Case-Based+Teaching&rft.jtitle=MedEdPORTAL&rft.aulast=Spicer&rft.aufirst=Jennifer+O.&rft.au=Spicer%2C%26%2332%3BJennifer+O.&rft.au=Nguyen%2C%26%2332%3BTrong+Tien&rft.au=Arnold%2C%26%2332%3BMargaret+W.&rft.au=Anderson%2C%26%2332%3BTiffany&rft.au=Khalife%2C%26%2332%3BRoy&rft.date=17+March+2021&rft.pages=11126&rft_id=info:doi\/10.15766%2Fmep_2374-8265.11126&rft.issn=2374-8265&rft_id=info:pmc\/PMC7970636&rft_id=info:pmid\/33768155&rft_id=http%3A%2F%2Fwww.mededportal.org%2Fdoi%2F10.15766%2Fmep_2374-8265.11126&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-21\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-21\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Stroobants, A.K; Goldschmidt, H.M.J; Plebani, M (1 July 2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009898103001815\" target=\"_blank\">\"Error budget calculations in laboratory medicine: linking the concepts of biological variation and allowable medical errors\"<\/a> (in en). <i>Clinica Chimica Acta<\/i> <b>333<\/b> (2): 169\u2013176. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2FS0009-8981%2803%2900181-5\" target=\"_blank\">10.1016\/S0009-8981(03)00181-5<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009898103001815\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009898103001815<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Error+budget+calculations+in+laboratory+medicine%3A+linking+the+concepts+of+biological+variation+and+allowable+medical+errors&rft.jtitle=Clinica+Chimica+Acta&rft.aulast=Stroobants&rft.aufirst=A.K&rft.au=Stroobants%2C%26%2332%3BA.K&rft.au=Goldschmidt%2C%26%2332%3BH.M.J&rft.au=Plebani%2C%26%2332%3BM&rft.date=1+July+2003&rft.volume=333&rft.issue=2&rft.pages=169%E2%80%93176&rft_id=info:doi\/10.1016%2FS0009-8981%2803%2900181-5&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0009898103001815&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Galukande, M; Katamba, A; Kiguli, S; Kiguli-Malwadde, E; Kijjambu, S; Sewankambo, N (12 March 2015). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ajol.info\/index.php\/ahs\/article\/view\/114180\" target=\"_blank\">\"Problem based learning: tutors\u2019 views 5 years after implementation at a sub-Saharan University\"<\/a>. <i>African Health Sciences<\/i> <b>15<\/b> (1): 261. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4314%2Fahs.v15i1.34\" target=\"_blank\">10.4314\/ahs.v15i1.34<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1680-6905\" target=\"_blank\">1680-6905<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4370133\/\" target=\"_blank\">PMC4370133<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25834557\" target=\"_blank\">25834557<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.ajol.info\/index.php\/ahs\/article\/view\/114180\" target=\"_blank\">http:\/\/www.ajol.info\/index.php\/ahs\/article\/view\/114180<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Problem+based+learning%3A+tutors%E2%80%99+views+5+years+after+implementation+at+a+sub-Saharan+University&rft.jtitle=African+Health+Sciences&rft.aulast=Galukande&rft.aufirst=M&rft.au=Galukande%2C%26%2332%3BM&rft.au=Katamba%2C%26%2332%3BA&rft.au=Kiguli%2C%26%2332%3BS&rft.au=Kiguli-Malwadde%2C%26%2332%3BE&rft.au=Kijjambu%2C%26%2332%3BS&rft.au=Sewankambo%2C%26%2332%3BN&rft.date=12+March+2015&rft.volume=15&rft.issue=1&rft.pages=261&rft_id=info:doi\/10.4314%2Fahs.v15i1.34&rft.issn=1680-6905&rft_id=info:pmc\/PMC4370133&rft_id=info:pmid\/25834557&rft_id=http%3A%2F%2Fwww.ajol.info%2Findex.php%2Fahs%2Farticle%2Fview%2F114180&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Yao, C.; Li, R.; Fu, W. (2015). \"Exploration of the course construction of clinical biochemistry under the new medical model\". <i>Zhonghua yixue jiaoyu tansuo zazhi [Chinese Journal of Medical Education Research]<\/i> <b>14<\/b>: 757\u201360.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Exploration+of+the+course+construction+of+clinical+biochemistry+under+the+new+medical+model&rft.jtitle=Zhonghua+yixue+jiaoyu+tansuo+zazhi+%5BChinese+Journal+of+Medical+Education+Research%5D&rft.aulast=Yao%2C+C.%3B+Li%2C+R.%3B+Fu%2C+W.&rft.au=Yao%2C+C.%3B+Li%2C+R.%3B+Fu%2C+W.&rft.date=2015&rft.volume=14&rft.pages=757%E2%80%9360&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wiencek, Joesph R; Chambliss, Allison B; Bertholf, Roger L; Cotten, Steven W; Ellervik, Christina; Kreuter, Justin D; Mirza, Kamran M; Shajani-Yi, Zahra (18 May 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/clinchem\/article\/68\/5\/619\/6548427\" target=\"_blank\">\"A Paradigm Shift: Engagement of Clinical Chemistry and Laboratory Medicine Trainees by Innovative Teaching Methods\"<\/a> (in en). <i>Clinical Chemistry<\/i> <b>68<\/b> (5): 619\u2013626. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fclinchem%2Fhvac036\" target=\"_blank\">10.1093\/clinchem\/hvac036<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0009-9147\" target=\"_blank\">0009-9147<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/clinchem\/article\/68\/5\/619\/6548427\" target=\"_blank\">https:\/\/academic.oup.com\/clinchem\/article\/68\/5\/619\/6548427<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Paradigm+Shift%3A+Engagement+of+Clinical+Chemistry+and+Laboratory+Medicine+Trainees+by+Innovative+Teaching+Methods&rft.jtitle=Clinical+Chemistry&rft.aulast=Wiencek&rft.aufirst=Joesph+R&rft.au=Wiencek%2C%26%2332%3BJoesph+R&rft.au=Chambliss%2C%26%2332%3BAllison+B&rft.au=Bertholf%2C%26%2332%3BRoger+L&rft.au=Cotten%2C%26%2332%3BSteven+W&rft.au=Ellervik%2C%26%2332%3BChristina&rft.au=Kreuter%2C%26%2332%3BJustin+D&rft.au=Mirza%2C%26%2332%3BKamran+M&rft.au=Shajani-Yi%2C%26%2332%3BZahra&rft.date=18+May+2022&rft.volume=68&rft.issue=5&rft.pages=619%E2%80%93626&rft_id=info:doi\/10.1093%2Fclinchem%2Fhvac036&rft.issn=0009-9147&rft_id=https%3A%2F%2Facademic.oup.com%2Fclinchem%2Farticle%2F68%2F5%2F619%2F6548427&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sait, Mohammed Salik; Siddiqui, Zohaib; Ashraf, Yasir (2 May 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dovepress.com\/letter-httpswwwdovepresscomadvances-in-medical-education-an-peer-reviewed-fulltext-article-AMEP\" target=\"_blank\">\"Advances in medical education and practice: student perceptions of the flipped classroom\"<\/a> (in English). <i>Advances in Medical Education and Practice<\/i> <b>8<\/b>: 317\u2013320. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2147%2FAMEP.S133328\" target=\"_blank\">10.2147\/AMEP.S133328<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5422339\/\" target=\"_blank\">PMC5422339<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/28496377\" target=\"_blank\">28496377<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dovepress.com\/letter-httpswwwdovepresscomadvances-in-medical-education-an-peer-reviewed-fulltext-article-AMEP\" target=\"_blank\">https:\/\/www.dovepress.com\/letter-httpswwwdovepresscomadvances-in-medical-education-an-peer-reviewed-fulltext-article-AMEP<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Advances+in+medical+education+and+practice%3A+student+perceptions+of+the+flipped+classroom&rft.jtitle=Advances+in+Medical+Education+and+Practice&rft.aulast=Sait&rft.aufirst=Mohammed+Salik&rft.au=Sait%2C%26%2332%3BMohammed+Salik&rft.au=Siddiqui%2C%26%2332%3BZohaib&rft.au=Ashraf%2C%26%2332%3BYasir&rft.date=2+May+2017&rft.volume=8&rft.pages=317%E2%80%93320&rft_id=info:doi\/10.2147%2FAMEP.S133328&rft_id=info:pmc\/PMC5422339&rft_id=info:pmid\/28496377&rft_id=https%3A%2F%2Fwww.dovepress.com%2Fletter-httpswwwdovepresscomadvances-in-medical-education-an-peer-reviewed-fulltext-article-AMEP&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-26\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-26\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhang, Shan Yong; Zheng, Jia Wei; Yang, Chi; Zhang, Zhi Yuan; Shen, Guo Fang; Zhang, Jian Zhong; Xu, Yuan Jin; Cao, Xia (1 October 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/j.0022-0337.2012.76.10.tb05396.x\" target=\"_blank\">\"Case\u2010Based Learning in Clinical Courses in a Chinese College of Stomatology\"<\/a> (in en). <i>Journal of Dental Education<\/i> <b>76<\/b> (10): 1389\u20131392. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fj.0022-0337.2012.76.10.tb05396.x\" target=\"_blank\">10.1002\/j.0022-0337.2012.76.10.tb05396.x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0022-0337\" target=\"_blank\">0022-0337<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/j.0022-0337.2012.76.10.tb05396.x\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/j.0022-0337.2012.76.10.tb05396.x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Case%E2%80%90Based+Learning+in+Clinical+Courses+in+a+Chinese+College+of+Stomatology&rft.jtitle=Journal+of+Dental+Education&rft.aulast=Zhang&rft.aufirst=Shan+Yong&rft.au=Zhang%2C%26%2332%3BShan+Yong&rft.au=Zheng%2C%26%2332%3BJia+Wei&rft.au=Yang%2C%26%2332%3BChi&rft.au=Zhang%2C%26%2332%3BZhi+Yuan&rft.au=Shen%2C%26%2332%3BGuo+Fang&rft.au=Zhang%2C%26%2332%3BJian+Zhong&rft.au=Xu%2C%26%2332%3BYuan+Jin&rft.au=Cao%2C%26%2332%3BXia&rft.date=1+October+2012&rft.volume=76&rft.issue=10&rft.pages=1389%E2%80%931392&rft_id=info:doi\/10.1002%2Fj.0022-0337.2012.76.10.tb05396.x&rft.issn=0022-0337&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fj.0022-0337.2012.76.10.tb05396.x&rfr_id=info:sid\/en.wikipedia.org:Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation, spelling, and grammar. In some cases important information was missing from the references, and that information was added.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104031859\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.834 seconds\nReal time usage: 1.008 seconds\nPreprocessor visited node count: 27680\/1000000\nPost\u2010expand include size: 262430\/2097152 bytes\nTemplate argument size: 86431\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 70352\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 628.497 1 -total\n 85.17% 535.279 1 Template:Reflist\n 68.27% 429.052 24 Template:Cite_journal\n 67.74% 425.740 26 Template:Citation\/core\n 12.79% 80.360 25 Template:Date\n 11.54% 72.559 63 Template:Citation\/identifier\n 9.79% 61.526 1 Template:Infobox_journal_article\n 8.49% 53.353 1 Template:Infobox\n 5.08% 31.919 2 Template:Cite_web\n 3.81% 23.914 80 Template:Infobox\/row\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14397-0!canonical and timestamp 20240104031858 and revision id 53086. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching\">https:\/\/www.limswiki.org\/index.php\/Journal:Evaluating_the_effectiveness_of_a_new_student-centred_laboratory_training_strategy_in_clinical_biochemistry_teaching<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","ad414735b42a278cddfde5fea097f5b9_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e6\/Fig1_Xu_BMCMedEd23_23.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/f\/f7\/Fig2_Xu_BMCMedEd23_23.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/7e\/Fig3_Xu_BMCMedEd23_23.png"],"ad414735b42a278cddfde5fea097f5b9_timestamp":1704389298,"ef663f8356a7165b6ddd6515adb76256_type":"article","ef663f8356a7165b6ddd6515adb76256_title":"Quality control in the clinical biochemistry laboratory: A glance (Naphade et al. 2023)","ef663f8356a7165b6ddd6515adb76256_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance","ef663f8356a7165b6ddd6515adb76256_plaintext":"\n\nJournal:Quality control in the clinical biochemistry laboratory: A glanceFrom LIMSWikiJump to navigationJump to searchFull article title\n \nQuality control in the clinical biochemistry laboratory: A glanceJournal\n \nJournal of Clinical and Diagnostic ResearchAuthor(s)\n \nNaphade, Manoj; Ankur, Panchbudhe S.; Rajendra, Shivkar R.Author affiliation(s)\n \nKiran Medical College, Smt. Kashibai Navale Medical College and General HospitalPrimary contact\n \ndrnmanoj at gmail dot comYear published\n \n2023Volume and issue\n \n17(2)Page(s)\n \nBE01 - BE04DOI\n \n10.7860\/JCDR\/2023\/58635.17447ISSN\n \n0973-709XDistribution license\n \nCreative Commons Attribution-NonCommercial-NoDerivs 4.0 InternationalWebsite\n \nhttps:\/\/www.jcdr.net\/\/article_fulltext.aspDownload\n \nhttps:\/\/www.jcdr.net\/\/articles\/PDF\/17447\/58635_CE(AD)_F(IS)_PF1(AKA_SS)_PFA(SS)_PN(SS).pdf (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Sources of laboratory errors \n\n3.1 Pre-analytical errors \n3.2 Analytical errors \n3.3 Post-analytical errors \n\n\n4 Quality control \n\n4.1 Statistical tools and terminology used in the laboratory for QC \n\n\n5 Quality control in the laboratory \n\n5.1 QC materials \n5.2 QC charts \n\n5.2.1 Levey-Jennings chart \n5.2.2 Westgard rules \n\n\n5.3 Shifts and trends \n\n\n6 Conclusion \n7 Acknowledgements \n\n7.1 Competing interests \n\n\n8 References \n9 Notes \n\n\n\nAbstract \nQuality control (QC) is a process, designed to ensure reliable test results. It is part of overall laboratory quality management in terms of accuracy, reliability, and timeliness of reported test results. Two types of QC are exercised in clinical biochemistry: internal QC (IQC) and external quality assurance (QA). IQC represents the quality methods performed every day by laboratory personnel with the laboratory\u2019s materials and equipment. It primarily checks the precision (i.e., repeatability or reproducibility) of the test method. External quality assurance service (EQAS) is performed periodically (i.e., every month, every two months, twice a year) by the laboratory personnel, who primarily are checking the accuracy of the laboratory\u2019s analytical methods. Consequences of inaccurate results could be unnecessary treatment, treatment complications, failure to provide the proper treatment, delay in correct diagnosis, additional and unnecessary diagnostic testing, leading to increased healthcare costs (in terms of time and personnel effort) and often in poor patient outcomes. By running QC, a laboratory self-monitors its testing process and substantiates that the results produced are accurate and precise. The lab's quality management system (QMS), looking at every aspect of the laboratory from sample collection to result dispatch, is very important for achieving and maintaining good laboratory performance. A QC program allows the laboratory to differentiate between normal variation and error. This review article outlines the indispensable role of QC in the clinical biochemistry laboratory, which ensures patient satisfaction, ensures the credibility of the laboratory, generates confidence in laboratory results, and reduces unnecessary financial burden.\nKeywords: accuracy, error, precision, quality control, quality management\n\nIntroduction \nLaboratory investigations are indispensable tools in the healthcare delivery system. Patient-based laboratory testing is used for confirmation of diagnosis, as well as to monitor the progress of the patient and response to the treatment.[1] In today\u2019s era of evidence-based medicine, a clinical laboratory acts like a platform on which all departments rely for timely delivery of patient care.[1] Upwards of 70 percent of clinical decisions are made with the help of diagnostic tests.[2] \nA clinical sample (i.e., specimen) goes through three phases before a report confirming results is generated: pre-analytical, analytical, and post-analytical.[3] The pre-analytical phase involves all the steps before a sample is acknowledged by the laboratory, ranging from ordering of the test, patient preparation, sample collection, transportation, accession, and specimen preparation. The analytical phase refers to the processing or analysis of the sample using an autoanalyzer or standardized method. Finally, the post-analytical phase starts after a result\/signal is received from an instrument and recorded (either automatically via laboratory information system [LIS] or manually via transcribing the report), interpreted by the physician, and further followed-up with the patient.[3]\n\nSources of laboratory errors \nWithin these three phases, there are a number of possible errors that can affect the quality of the clinical laboratory output. To improve quality, all three phases can be targeted individually, although it is well published that most errors occur in the pre- and post-analytical phases.[4][5][6] We examine each phase to see which errors are most common to each.\n\nPre-analytical errors \nCommon problems encountered and their possible resolutions in the pre-analytical phase are as follows[1]:\n\nOrdering investigations: Physicians should make an informed and conscious choice before ordering a test, keeping in mind the relevance for correct diagnosis, as well as the irrelevance of tests that may not add to the already available clinical knowledge concerning the patient.[1]\nIncomplete laboratory request forms: Legibility and completeness of the form are important to ensure the correct analyses are performed. For example, age or gender of the person may not be mentioned on the form, leading to an ill-advised test for that age or gender being used.[1]\nPatient preparation: Certain tests require a few precautions or steps of preparation be followed by the patient. For example, some tests require that the patient be fasting, such as blood glucose and lipid profile analyses. There may also be special timing issues for tests such as drug levels and hormone tests. This needs to be addressed to ensure that a reliable result is generated in the end since an error at this phase makes the following steps of analysis and interpretation irrelevant, even if performed to perfection.[1]\nSpecimen collection (potential outcomes of collection errors): Incorrect phlebotomy practices and patient information can lead to an inadequate quantity of sample collection. For example, lipemic or hemolyzed samples make their further processing difficult or impossible and lead to subsequent unreliable results. Blood tests might require serum, plasma, or whole blood. Other tests might require urine or saliva.[7]\nWrong patient-specimen identification\/wrong labelling of the containers: Patient identification errors before sample collection account for up to 25 percent of all pre-analytical errors.[8] This can lead to patients being diagnosed and treated based on a sample from another patient. If not identified or correlated, outcomes can be catastrophic.\nTransportation: The conditions and time between sample collection and analysis, if not followed properly, are enough to affect certain analyses\u2019 values.\nErrors in specimen preparation: The time spent processing the sample\u2014including centrifugation speed and temperature, light exposure, and aliquot preparation\u2014are critical considerations that must be weighed before sample processing is carried out. Not properly processing a specimen before the test, or the introduction of substances which interfere with test performance, may affect analytical results.[9]\nLimitations in reducing pre-analytical errors: A more significant pre-analytical error source is biological variance, not linked to and uncontrollable by human error.[1]\nPre-analytical errors can be minimized by checking the test requisition form, the name of the patient on the vacutainer, and the requested tests. The implementation of barcode technology for specimen identification has been the major advance in the automation of the laboratory. A barcode label generated by a LIS can be read by one or more barcode readers placed in key positions in the analytical system. Barcode technology has the advantages of not requiring work lists for the workflow and preventing the mix-up of tubes in analyzers during sampling.[10] Pre-analytical errors can also be kept in check by working with the patient regarding food intake, alcohol intake, any drug usage, smoking, etc., as these factors may influence the result. Aside from instructing patients properly for the collection of the sample, the clinical lab can[7]:\n\nconfirm the use of correct anticoagulant and the adequate amount of sample;\ninspect the serum for hemolysis or lipemic index;\nrecord the time at which the sample is received and when the report is ready and dispatched; and\nobserve standard operating procedures (SOPs) for sample processing, as even time of separation, centrifuge speed, and the temperature at which a sample gets separated are important.\nAnalytical errors \nReliable test results can be achieved by a careful selection, evaluation, and implementation of analytical methods for investigations. Equipment, reagents, and consumables make up integral parts of the analytical process. A good equipment management system helps to maintain a high level of laboratory performance; reduces variation in test results, while improving the technologist\u2019s confidence in the accuracy of testing results; and lowers repair costs, while reducing interruption of services due to breakdowns and failures. Improved quality and reproducibility of test results is also one of the biggest advantage of using automation in the analytical phase by minimizing errors due to carry-over of samples and inadequate sample mix up.[11] One of the goals of QC is to differentiate between normal variation and errors.\nCommon problems encountered in the analytical phase include:\n\nReference ranges: While reporting results, laboratories should have well-established reference ranges based on physiological parameters such as age, the period of gestation in case of pregnancy, and gender (rather than ambiguous and general ones), as the interpreting physician will be treated based on these ranges provided.[7]\nParticipation without action: Although the lab participates in quality programs, until and unless they use the information received through that participation, mere participation will not help improve analytical errors.\nVerify test performance: For any laboratory test parameter, its performance should be evaluated and verified with respect to its sensitivity, specificity, linearity, and precision.\nTotal allowable error (TEa): Errors that occur during the analytical phase could be either random or systematic. TEa sets a limit for combined imprecision (random error) and bias (inaccuracy, or systematic error) that are tolerable in a single measurement or single test result to ensure clinical usefulness of that particular result. Defining the allowable error is important for high accuracy and precision of the analytical process.[12][13]\nAnalytical errors can be kept down by use of auto-analyzers for analysis of test parameters, ensuring the validity and acceptability of a new program, instrument, and technique for a particular test. They can also be minimized by verifying the reportable range, precision, analytical sensitivity, interferences, and accuracy, as provided by the test-specific kit insert. Analytical errors can also be held in check by using reference ranges specific to the physiological conditions of the patients, such as age, gender, and gestation, in case of pregnancy. These reference ranges should be verified by running samples of healthy individuals. Other things the lab can do include[7]:\n\nscheduling daily and monthly preventive maintenance for each instrument;\nchecking water quality, power supply, calibration of electrical balance, and calibration of glassware and pipettes;\nmaintaining records of date for reagents and kits when received and when opened,\nrunning new lots of the reagents with the old lot in parallel before being used for analysis; and\nmonitoring QC using internal QC (IQC) and external quality assurance service (EQAS) programs.\nPost-analytical errors \nThis stage refers to transmission of data from analyzers to the LIS, validation of results that have been produced, and posting of the results to physicians or patients in a timely fashion in order for the analytical work to be of diagnostic and therapeutic utility. A wrong result is as equally bad as a late one, especially for critical values that, if not reported at the right time to the right physician, would delay lifesaving intervention. Common post-analytical errors include incorrect calculation or unit of measurement, transcription error, delay in delivering the results to the physicians, clinic or patient results being sent to the wrong patient, and loss of the results.[7][13]\nAutomation has helped reduce these errors, for example by directly transferring results from an instrument to an LIS. Linking the availability of critical values directly to the mobile patient portal of the healthcare provider has further reduced time to a notification.[14]\nConsequences of errors at any level can lead to delayed results, repeated visits, avoidable multiple sample collection actions, and incorrect results, and thereby incorrect or delayed diagnosis and treatment. The quality of patient care is compromised, adding to the overall cost and patient dissatisfaction, and at worst having lethal repercussions.[15]\n\nQuality control \nIrrespective of the phase during which an error occurs, defending the authenticity of the analytical result lies with the laboratory.[16] Reducing laboratory errors not only increases the confidence of reporting physicians but also of the patients in the system and helps curb any unnecessary expenditure of the hospital and lab. Thus it is of interest to check laboratory errors occurring in each laboratory and formulate corrective measures to avoid them.[1] This is where QC comes in, as do the elements of accuracy and precision. These elements can be defined as such:\n\nAccuracy: Accuracy refers to the closeness of a result to the actual value (i.e., true value). It is generally measured by direct comparison to a reference by using QC serum, with an accurate value assigned to it by the manufacturer.[13]\nPrecision: Precision refers to the reproducibility or closeness of values to each other.[13]\nIdeally, a laboratory should be trying for both high accuracy and precision. These can be gauged using statistical tools.\n\nStatistical tools and terminology used in the laboratory for QC \nIt is very well-known that treatment of patients depends to a great extent on the reports generated by the clinical laboratory. As such, the results generated by the laboratory should be accurate. The laboratory data which is generated needs to be summarized in order to monitor test performance, i.e., quality control.[17] Statistical analysis that considers normal or Gaussian distribution comes into play here. These distribution models form the basis of statistical QC theory. A Gaussian curve indicates that about 68 percent of all values would fall within one standard deviation from the mean, while 95 percent would be expected to fall within two standard deviations and 99.7 percent would be expected to fall within three standard deviations. If the value falls between one standard deviation range, it indicates a good control.[13]\nTerms used in statistical analysis include[13][18]:\n\nMean: This is the most commonly used term. It is the sum of data divided by the number of observations.\nMode: This is the value that occurs most frequently in a list of observations. It is not affected by extreme values.\nMedian: This is the number that occupies the central position when the data is arranged in ascending or descending manner.\nStandard deviation (SD): This is a measure of how much the data varies around the mean. It is a primary indicator of precision. It is very useful to the laboratory in analyzing QC results.\nCoefficient of variation (CV): This is the ratio of standard deviation to the mean and is expressed as a percentage.\nStandard deviation index (SDI): This is the difference between individual value subtracted from the group mean divided by the SD of the group, also known as the Z-statistic. It is used for peer-group comparison.\nQuality control in the laboratory \nThe QC process monitors and evaluates the analytical process that produces patient results. The aim of QC is to evaluate the errors in the pre-analytical, analytical, and post-analytical phases before test results are reported. The question of reliability for most testing can be resolved by regular use of QC materials. Further, reliability of test results is ensured by regular testing of QC products and statistical process control[18] before running patient samples. QC results are acceptable when they are in the acceptable range of the error limit and are unacceptable when results show excessive errors and are out-of-range.[18] We now take a look at QC materials and other methods of QC in the lab.\n\nQC materials \nQC materials resemble human serum, plasma, blood, urine and cerebrospinal fluid and contain analytes of known concentration which are determined by the laboratory, ideally in concentration close to the decision limits where medical decision is required. These QC materials can be liquid (ready-to-use) or freeze dried (lyophilized). They need to be stable for prolonged periods without any interfering preservatives; easy to store and dispense; free from communicable diseases like bacteria, viruses, and fungi; and affordable. Control samples with the same analytes but different concentrations are called levels. Normal level control contains normal levels for the analyte being tested. Abnormal level control contains the analyte at a concentration above or below the normal range for the analyte. Different levels check the performance of laboratory methods across all their measuring range. In most cases, control samples are manufactured by analyzer or reagent manufacturers, but they can also be made by laboratory personnel.[7][13][18]\nIrrespective of the size of the laboratory, minimum two levels of QC should be run once on the day of performing the test. If the laboratory is operational round the clock, two level controls should be run in the peak hour, subsequently one level every eight hours.[19] In addition to above, after an instrument\u2019s servicing, a change in reagent lots, after calibration, and whenever patient results seem inappropriate, QC material should be run to assure the results. This can be done with the help of IQC and EQAS, which are complementary to each other.[20] IQC includes all QC methods which are performed everyday by the laboratory personnel to check primarily the precision (repeatability or reproducibility) of the method with the laboratory\u2019s materials and equipment. While EQAS comprises of all QC methods which are performed periodically (i.e., every month, every two months, twice a year) by the laboratory personnel with the contribution of an external center (e.g., referral laboratory, scientific associations, diagnostic industry, etc.), reflecting primarily the accuracy of the laboratory\u2019s analytical methods. IQC and EQAS are compared in (Table\/Fig 1).\n\r\n\n\n\n\n\n\n\n\n\n\nTable\/Figure 1. Comparison between IQC and EQAS.\n\n\n\nQC charts \nQC is a statistical process. QC charts are used to represent the values of control material within the defined upper and lower limit. The following are important charting methods.\n\nLevey-Jennings chart \nThe Levey-Jennings chart is the most important control chart in laboratory QC. It can be used in IQC and EQAS as well. It detects all kinds of analytical errors (random and systematic) and is used for the estimation of their magnitude.[21] This graphical method displays controls values and evaluates whether a procedure is in-control or out-of-control. Daily control values are plotted versus time. Lines are drawn from point to point to better understand any systematic or random errors.[21]\n\nWestgard rules \nError detection in the analytical phase of sample processing can be done with the help of Westgard rules.[22] Westgard devised a shorthand notation for expressing QC rules, such as \"NL,\" where N represents the number of control observations to be evaluated and L represents the statistical limit for evaluating the control observations. These rules can be applied as single rules and as multi-rules. It also helps to decide whether the analytical run is in-control or out-of-control. (Table\/Fig 2) shows Westgard rules and their interpretation.\n\r\n\n\n\n\n\n\n\n\n\n\nTable\/Figure 2. Westgard rules and their interpretation.\n\n\n\nImportant steps to follow in case of QC failure are stop testing samples\/release of reports, searching for recent events that could have caused the changes, examining environmental conditions like change in room temperature or humidity, following the manufacturer\u2019s troubleshooting guide, root cause analysis (RCA), and corrective and preventive actions (CAPA). Corrective action stops the occurrence of non-conformities. Corrective action has to be taken when there is a problem. Preventive action gives the opportunity to prevent potential non-conformities and determine the type of error.[17]\nQC errors (errors in the analytical process) are classified into systematic errors and random errors. Some errors encounter as both. Random error affects individual samples in a random and unpredictable manner, with a lack of reproducibility. It may be due to air bubbles in the reagents, inadequately mixed reagents, unstable temperature and incubation, unstable power supply, Fibrin clot in the sample probe, poor operator technique, or sudden failure or change in the light source. Systematic error displaces the mean value in one direction, which may go up and down and affect every test in a constant predictable manner.[17]\n\nShifts and trends \nA shift is when the QC values move suddenly upwards or downwards from the mean and continue the same way, mathematically changing the mean, which in turn may be due to change in reagent lot and\/or calibrator lot, change in temperature of incubators and reaction blocks, inaccurate calibration, etc. A trend is when the QC value slowly moves up or down from the mean and continues moving the same direction over time, which in turn may be due to deterioration of reagents\/calibrators\/control material, deterioration of instrument light source, gradual accumulation of debris in sample and\/or reagent tubing, and failing calibration.[17]\nRandom and systematic errors must be detected at an early stage, and every effort should be taken in order to minimize them. These can be avoided by having well-trained staff; well-designed SOPs; regular maintenance of instruments, temperature controls, and electrical supplies; and thorough checking of the results.[17]\n\nConclusion \nLaboratory investigations are a major contributor to most clinical decisions and one of the indispensable tools in modern healthcare. QC is one of the components of quality management and is a statistical way to monitor and evaluate the analytical process. QC not only ensures credibility of the laboratory but also generates confidence of customers in the laboratory's results. Reliable and confident laboratory testing avoids misdiagnosis, delayed treatment, and unnecessary costing of repeat testing. As such, the individual laboratory should assess and analyze their own QC process to find out the possible root cause of any digressive test results which are not correlating with patients' clinical presentation or expected response to treatment. Vigorous QC processes observing the latest technical advancements will contribute to the reduction in resource wastage and the minimization of errors in patient management.\n\nAcknowledgements \nCompeting interests \nNone declared.\n\nReferences \n\n\n\u2191 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 Panchbudhe, Sanjyoti; Kumar, Shilpa (3 July 2021). \"Contribution to Lab Errors as a Healthcare Professional\". Journal of Pharmaceutical Research International: 242\u2013248. doi:10.9734\/jpri\/2021\/v33i34B31865. ISSN 2456-9119. https:\/\/journaljpri.com\/index.php\/JPRI\/article\/view\/2689 .   \n \n\n\u2191 Agarwal, Rachna (1 May 2014). \"Quality-Improvement Measures as Effective Ways of Preventing Laboratory Errors\" (in en). Laboratory Medicine 45 (2): e80\u2013e88. doi:10.1309\/LMD0YIFPTOWZONAD. ISSN 0007-5027. https:\/\/academic.oup.com\/labmed\/article-lookup\/doi\/10.1309\/LMD0YIFPTOWZONAD .   \n \n\n\u2191 3.0 3.1 Astion, Michael L.; Shojania, Kaveh G.; Hamill, Tim R.; Kim, Sara; Ng, Valerie L. (1 July 2003). \"Classifying Laboratory Incident Reports to Identify Problems That Jeopardize Patient Safety\" (in en). American Journal of Clinical Pathology 120 (1): 18\u201326. doi:10.1309\/8U5D0MA6MFH2FG19. ISSN 0002-9173. https:\/\/academic.oup.com\/ajcp\/article-lookup\/doi\/10.1309\/8U5D0MA6MFH2FG19 .   \n \n\n\u2191 Montoya, Isaac D. (2004). \"Assessing the practice of laboratory medicine\". Clinical Laboratory Science: Journal of the American Society for Medical Technology 17 (2): 66\u201367. ISSN 0894-959X. PMID 15168886. https:\/\/pubmed.ncbi.nlm.nih.gov\/15168886 .   \n \n\n\u2191 Seamark, David; Backhouse, Susan; Barber, Paul; Hichens, John; Salzmann, Maurice; Powell, Roy (1 July 1999). \"Transport and Temperature Effects on Measurement of Serum and Plasma Potassium\" (in en). Journal of the Royal Society of Medicine 92 (7): 339\u2013341. doi:10.1177\/014107689909200703. ISSN 0141-0768. PMC PMC1297284. PMID 10615270. http:\/\/journals.sagepub.com\/doi\/10.1177\/014107689909200703 .   \n \n\n\u2191 Stankovic, Ana K. (1 December 2004). \"The laboratory is a key partner in assuring patient safety\" (in en). Clinics in Laboratory Medicine 24 (4): 1023\u20131035. doi:10.1016\/j.cll.2004.05.017. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0272271204000733 .   \n \n\n\u2191 7.0 7.1 7.2 7.3 7.4 7.5 Westgard, J.O.; Klee, G.G (2006). \"Chapter 19: Quality Management\". In Burtis, Carl A.; Ashwood, Edward R.; Bruns, David E. et al.. Tietz textbook of clinical chemistry and molecular diagnostics: with 12 color plates (4. ed ed.). St. Louis, Mo: Elsevier, Saunders. pp. 485-529. ISBN 978-0-7216-0189-2.   \n \n\n\u2191 Vice Chancellor St.Peters University, Avadi, Chennai.; Ravichandran, S. (16 April 2017). \"Internet Connected High Tech Street Lighting System Using RTOS\". International Journal of MC Square Scientific Research 9 (1): 331\u2013334. doi:10.20894\/IJMSR.117.009.001.039. http:\/\/ijmsr.org\/admin\/selected\/IJMSR2017-91-039IJMSR2017-91-039.pdf .   \n \n\n\u2191 Dzik, Walter H. (1 January 2007). \"New technology for transfusion safety\" (in en). British Journal of Haematology 136 (2): 181\u2013190. doi:10.1111\/j.1365-2141.2006.06373.x. ISSN 0007-1048. https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1365-2141.2006.06373.x .   \n \n\n\u2191 Boyd, J.C.; Hawker, C.D. (2006). \"Chapter 11: Automation in the Clinical Laboratory\". In Burtis, Carl A.; Ashwood, Edward R.; Bruns, David E. et al.. Tietz textbook of clinical chemistry and molecular diagnostics: with 12 color plates (4. ed ed.). St. Louis, Mo: Elsevier, Saunders. pp. 269\u201370. ISBN 978-0-7216-0189-2.   \n \n\n\u2191 World Health Organization (2011). \"Chapter 3: Equipment\". Laboratory quality management system: Handbook. World Health Organization. pp. 35\u201348. ISBN 9789241548274. https:\/\/www.who.int\/publications\/i\/item\/9789241548274 .   \n \n\n\u2191 Harr, Kendal E.; Flatland, Bente; Nabity, Mary; Freeman, Kathleen P. (1 December 2013). \"ASVCP guidelines: allowable total error guidelines for biochemistry\" (in en). Veterinary Clinical Pathology 42 (4): 424\u2013436. doi:10.1111\/vcp.12101. ISSN 0275-6382. https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/vcp.12101 .   \n \n\n\u2191 13.0 13.1 13.2 13.3 13.4 13.5 13.6 Karkalousos, Petros; Evangelopoulos, Angelos (26 April 2011), Ivanov, Ognyan, ed., \"Quality Control in Clinical Laboratories\" (in en), Applications and Experiences of Quality Control (InTech), doi:10.5772\/15865, ISBN 978-953-307-236-4, http:\/\/www.intechopen.com\/books\/applications-and-experiences-of-quality-control\/quality-control-in-clinical-laboratories . Retrieved 2023-11-13   \n \n\n\u2191 Park, Hae-il; Min, Won-Ki; Lee, Woochang; Park, Hyosoon; Park, Chan-Jeoung; Chi, Hyun-Sook; Chun, Sail (2008). \"Evaluating the short message service alerting system for critical value notification via PDA telephones\". Annals of Clinical and Laboratory Science 38 (2): 149\u2013156. ISSN 1550-8080. PMID 18469361. https:\/\/pubmed.ncbi.nlm.nih.gov\/18469361 .   \n \n\n\u2191 Green, Sol F. (1 September 2013). \"The cost of poor blood specimen quality and errors in preanalytical processes\" (in en). Clinical Biochemistry 46 (13-14): 1175\u20131179. doi:10.1016\/j.clinbiochem.2013.06.001. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009912013002786 .   \n \n\n\u2191 Chawla, Ranjna; Goswami, Binita; Tayal, Devika; Mallika, V (1 February 2010). \"Identification of the Types of Preanalytical Errors in the Clinical Chemistry Laboratory: 1-Year Study at G.B. Pant Hospital\" (in en). Laboratory Medicine 41 (2): 89\u201392. doi:10.1309\/LM9JXZBMLSVJT9RK. ISSN 0007-5027. https:\/\/academic.oup.com\/labmed\/article-lookup\/doi\/10.1309\/LM9JXZBMLSVJT9RK .   \n \n\n\u2191 17.0 17.1 17.2 17.3 17.4 Kaur, V.; Kare, P.K.; Madaan, H. (2018). \"Quality Control in a Clinical Laboratory\". Advances in Biochemistry & Applications in Medicine. Open Access eBooks. pp. 1\u20139. ISBN 978-93-87500-49-5. https:\/\/www.researchgate.net\/publication\/335830829_Quality_Control_in_a_Clinical_Laboratory .   \n \n\n\u2191 18.0 18.1 18.2 18.3 Cooper, G. (2008). \"Basic Lessons in Laboratory Quality Control\" (PDF). Bio-Rad Laboratories, Inc. https:\/\/sscc.med.sa\/wp-content\/uploads\/2022\/07\/Basic-Lessons-in-Laboratory-Quality-Control-.pdf .   \n \n\n\u2191 National Accreditation Board for Testing and Calibration Laboratories (NABL) (11 February 2019). \"Specific Criteria for Accreditation of Medical Laboratories\". National Accreditation Board for Testing and Calibration Laboratories. https:\/\/www.nabl-india.org\/wp-content\/uploads\/2019\/02\/NABL-112_Issue-No.-04.pdf .   \n \n\n\u2191 Sheik, S.M.; Silvia, W.D. (2017). \"Quality Control in Clinical Biochemistry Laboratory: A Glimpse\" (PDF). International Journal of Clinical and Diagnostic Research 5 (5): 1. https:\/\/www.ijcdr.net\/admin\/php\/uploads\/95_pdf.pdf .   \n \n\n\u2191 21.0 21.1 Levey, S.; Jennings, E. R. (1 November 1950). \"The use of control charts in the clinical laboratory\". American Journal of Clinical Pathology 20 (11): 1059\u20131066. doi:10.1093\/ajcp\/20.11_ts.1059. ISSN 0002-9173. PMID 14783086. https:\/\/pubmed.ncbi.nlm.nih.gov\/14783086 .   \n \n\n\u2191 Westgard, J O; Barry, P L; Hunt, M R; Groth, T (1 March 1981). \"A multi-rule Shewhart chart for quality control in clinical chemistry.\" (in en). Clinical Chemistry 27 (3): 493\u2013501. doi:10.1093\/clinchem\/27.3.493. ISSN 0009-9147. https:\/\/academic.oup.com\/clinchem\/article\/27\/3\/493\/5666613 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with changes to presentation, spelling, and grammar as needed. The PMCID and DOI were added when they were missing from the original reference. No other changes were made in accordance with the \"NoDerivatives\" portion of the content license.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\">https:\/\/www.limswiki.org\/index.php\/Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on laboratory managementLIMSwiki journal articles on quality managementNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 13 November 2023, at 23:34.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 505 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","ef663f8356a7165b6ddd6515adb76256_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Quality_control_in_the_clinical_biochemistry_laboratory_A_glance rootpage-Journal_Quality_control_in_the_clinical_biochemistry_laboratory_A_glance skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Quality control in the clinical biochemistry laboratory: A glance<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_control\" title=\"Quality control\" class=\"wiki-link\" data-key=\"1e0e0c2eb3e45aff02f5d61799821f0f\">Quality control<\/a> (QC) is a process, designed to ensure reliable test results. It is part of overall <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> quality management in terms of accuracy, reliability, and timeliness of reported test results. Two types of QC are exercised in <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_chemistry\" title=\"Clinical chemistry\" class=\"wiki-link\" data-key=\"184d3433dd1f9dba149f42bc82234b8d\">clinical biochemistry<\/a>: internal QC (IQC) and external <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a> (QA). IQC represents the quality methods performed every day by laboratory personnel with the laboratory\u2019s materials and equipment. It primarily checks the precision (i.e., repeatability or reproducibility) of the test method. External quality assurance service (EQAS) is performed periodically (i.e., every month, every two months, twice a year) by the laboratory personnel, who primarily are checking the accuracy of the laboratory\u2019s analytical methods. Consequences of inaccurate results could be unnecessary treatment, treatment complications, failure to provide the proper treatment, delay in correct diagnosis, additional and unnecessary diagnostic testing, leading to increased healthcare costs (in terms of time and personnel effort) and often in poor patient outcomes. By running QC, a laboratory self-monitors its testing process and substantiates that the results produced are accurate and precise. The lab's <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_management_system\" title=\"Quality management system\" class=\"wiki-link\" data-key=\"dfecf3cd6f18d4a5e9ac49ca360b447d\">quality management system<\/a> (QMS), looking at every aspect of the laboratory from sample collection to result dispatch, is very important for achieving and maintaining good laboratory performance. A QC program allows the laboratory to differentiate between normal variation and error. This review article outlines the indispensable role of QC in the clinical biochemistry laboratory, which ensures patient satisfaction, ensures the credibility of the laboratory, generates confidence in laboratory results, and reduces unnecessary financial burden.\n<\/p><p><b>Keywords<\/b>: accuracy, error, precision, quality control, quality management\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">Laboratory<\/a> investigations are indispensable tools in the healthcare delivery system. Patient-based laboratory testing is used for confirmation of diagnosis, as well as to monitor the progress of the patient and response to the treatment.<sup id=\"rdp-ebb-cite_ref-:0_1-0\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup> In today\u2019s era of evidence-based medicine, a <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_laboratory\" title=\"Clinical laboratory\" class=\"wiki-link\" data-key=\"307bcdf1bdbcd1bb167cee435b7a5463\">clinical laboratory<\/a> acts like a platform on which all departments rely for timely delivery of patient care.<sup id=\"rdp-ebb-cite_ref-:0_1-1\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup> Upwards of 70 percent of clinical decisions are made with the help of diagnostic tests.<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup> \n<\/p><p>A clinical <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">sample<\/a> (i.e., specimen) goes through three phases before a report confirming results is generated: pre-analytical, analytical, and post-analytical.<sup id=\"rdp-ebb-cite_ref-:1_3-0\" class=\"reference\"><a href=\"#cite_note-:1-3\">[3]<\/a><\/sup> The pre-analytical phase involves all the steps before a sample is acknowledged by the laboratory, ranging from ordering of the test, patient preparation, sample collection, transportation, accession, and specimen preparation. The analytical phase refers to the processing or analysis of the sample using an autoanalyzer or standardized method. Finally, the post-analytical phase starts after a result\/signal is received from an instrument and recorded (either automatically via <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory_information_system\" title=\"Laboratory information system\" class=\"wiki-link\" data-key=\"37add65b4d1c678b382a7d4817a9cf64\">laboratory information system<\/a> [LIS] or manually via transcribing the report), interpreted by the physician, and further followed-up with the patient.<sup id=\"rdp-ebb-cite_ref-:1_3-1\" class=\"reference\"><a href=\"#cite_note-:1-3\">[3]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Sources_of_laboratory_errors\">Sources of laboratory errors<\/span><\/h2>\n<p>Within these three phases, there are a number of possible errors that can affect the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> of the clinical laboratory output. To improve quality, all three phases can be targeted individually, although it is well published that most errors occur in the pre- and post-analytical phases.<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup> We examine each phase to see which errors are most common to each.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Pre-analytical_errors\">Pre-analytical errors<\/span><\/h3>\n<p>Common problems encountered and their possible resolutions in the pre-analytical phase are as follows<sup id=\"rdp-ebb-cite_ref-:0_1-2\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup>:\n<\/p>\n<ul><li><b>Ordering investigations<\/b>: Physicians should make an informed and conscious choice before ordering a test, keeping in mind the relevance for correct diagnosis, as well as the irrelevance of tests that may not add to the already available clinical knowledge concerning the patient.<sup id=\"rdp-ebb-cite_ref-:0_1-3\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup><\/li>\n<li><b>Incomplete laboratory request forms<\/b>: Legibility and completeness of the form are important to ensure the correct analyses are performed. For example, age or gender of the person may not be mentioned on the form, leading to an ill-advised test for that age or gender being used.<sup id=\"rdp-ebb-cite_ref-:0_1-4\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup><\/li>\n<li><b>Patient preparation<\/b>: Certain tests require a few precautions or steps of preparation be followed by the patient. For example, some tests require that the patient be fasting, such as blood glucose and lipid profile analyses. There may also be special timing issues for tests such as drug levels and hormone tests. This needs to be addressed to ensure that a reliable result is generated in the end since an error at this phase makes the following steps of analysis and interpretation irrelevant, even if performed to perfection.<sup id=\"rdp-ebb-cite_ref-:0_1-5\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup><\/li>\n<li><b>Specimen collection (potential outcomes of collection errors)<\/b>: Incorrect phlebotomy practices and patient information can lead to an inadequate quantity of sample collection. For example, lipemic or hemolyzed samples make their further processing difficult or impossible and lead to subsequent unreliable results. Blood tests might require serum, plasma, or whole blood. Other tests might require urine or saliva.<sup id=\"rdp-ebb-cite_ref-:2_7-0\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup><\/li>\n<li><b>Wrong patient-specimen identification\/wrong labelling of the containers<\/b>: Patient identification errors before sample collection account for up to 25 percent of all pre-analytical errors.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup> This can lead to patients being diagnosed and treated based on a sample from another patient. If not identified or correlated, outcomes can be catastrophic.<\/li>\n<li><b>Transportation<\/b>: The conditions and time between sample collection and analysis, if not followed properly, are enough to affect certain analyses\u2019 values.<\/li>\n<li><b>Errors in specimen preparation<\/b>: The time spent processing the sample\u2014including centrifugation speed and temperature, light exposure, and aliquot preparation\u2014are critical considerations that must be weighed before sample processing is carried out. Not properly processing a specimen before the test, or the introduction of substances which interfere with test performance, may affect analytical results.<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup><\/li>\n<li><b>Limitations in reducing pre-analytical errors<\/b>: A more significant pre-analytical error source is biological variance, not linked to and uncontrollable by human error.<sup id=\"rdp-ebb-cite_ref-:0_1-6\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup><\/li><\/ul>\n<p>Pre-analytical errors can be minimized by checking the test requisition form, the name of the patient on the vacutainer, and the requested tests. The implementation of <a href=\"https:\/\/www.limswiki.org\/index.php\/Barcode\" title=\"Barcode\" class=\"wiki-link\" data-key=\"e0952b5b262392be0995237aec36d355\">barcode<\/a> technology for specimen identification has been the major advance in the <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory_automation\" title=\"Laboratory automation\" class=\"wiki-link\" data-key=\"0061880849aeaca05f8aa27ae171f331\">automation of the laboratory<\/a>. A barcode label generated by a LIS can be read by one or more barcode readers placed in key positions in the analytical system. Barcode technology has the advantages of not requiring work lists for the <a href=\"https:\/\/www.limswiki.org\/index.php\/Workflow\" title=\"Workflow\" class=\"wiki-link\" data-key=\"92bd8748272e20d891008dcb8243e8a8\">workflow<\/a> and preventing the mix-up of tubes in analyzers during sampling.<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup> Pre-analytical errors can also be kept in check by working with the patient regarding food intake, alcohol intake, any drug usage, smoking, etc., as these factors may influence the result. Aside from instructing patients properly for the collection of the sample, the clinical lab can<sup id=\"rdp-ebb-cite_ref-:2_7-1\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup>:\n<\/p>\n<ul><li>confirm the use of correct anticoagulant and the adequate amount of sample;<\/li>\n<li>inspect the serum for hemolysis or lipemic index;<\/li>\n<li>record the time at which the sample is received and when the report is ready and dispatched; and<\/li>\n<li>observe standard operating procedures (SOPs) for sample processing, as even time of separation, centrifuge speed, and the temperature at which a sample gets separated are important.<\/li><\/ul>\n<h3><span class=\"mw-headline\" id=\"Analytical_errors\">Analytical errors<\/span><\/h3>\n<p>Reliable test results can be achieved by a careful selection, evaluation, and implementation of analytical methods for investigations. Equipment, reagents, and consumables make up integral parts of the analytical process. A good equipment management system helps to maintain a high level of laboratory performance; reduces variation in test results, while improving the technologist\u2019s confidence in the accuracy of testing results; and lowers repair costs, while reducing interruption of services due to breakdowns and failures. Improved quality and reproducibility of test results is also one of the biggest advantage of using automation in the analytical phase by minimizing errors due to carry-over of samples and inadequate sample mix up.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> One of the goals of QC is to differentiate between normal variation and errors.\n<\/p><p>Common problems encountered in the analytical phase include:\n<\/p>\n<ul><li><b>Reference ranges<\/b>: While reporting results, laboratories should have well-established reference ranges based on physiological parameters such as age, the period of gestation in case of pregnancy, and gender (rather than ambiguous and general ones), as the interpreting physician will be treated based on these ranges provided.<sup id=\"rdp-ebb-cite_ref-:2_7-2\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup><\/li>\n<li><b>Participation without action<\/b>: Although the lab participates in quality programs, until and unless they use the information received through that participation, mere participation will not help improve analytical errors.<\/li>\n<li><b>Verify test performance<\/b>: For any laboratory test parameter, its performance should be evaluated and verified with respect to its sensitivity, specificity, linearity, and precision.<\/li>\n<li><b>Total allowable error (TEa)<\/b>: Errors that occur during the analytical phase could be either random or systematic. TEa sets a limit for combined imprecision (random error) and bias (inaccuracy, or systematic error) that are tolerable in a single measurement or single test result to ensure clinical usefulness of that particular result. Defining the allowable error is important for high accuracy and precision of the analytical process.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_13-0\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><\/li><\/ul>\n<p>Analytical errors can be kept down by use of auto-analyzers for analysis of test parameters, ensuring the validity and acceptability of a new program, instrument, and technique for a particular test. They can also be minimized by verifying the reportable range, precision, analytical sensitivity, interferences, and accuracy, as provided by the test-specific kit insert. Analytical errors can also be held in check by using reference ranges specific to the physiological conditions of the patients, such as age, gender, and gestation, in case of pregnancy. These reference ranges should be verified by running samples of healthy individuals. Other things the lab can do include<sup id=\"rdp-ebb-cite_ref-:2_7-3\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup>:\n<\/p>\n<ul><li>scheduling daily and monthly preventive maintenance for each instrument;<\/li>\n<li>checking water quality, power supply, calibration of electrical balance, and calibration of glassware and pipettes;<\/li>\n<li>maintaining records of date for reagents and kits when received and when opened,<\/li>\n<li>running new lots of the reagents with the old lot in parallel before being used for analysis; and<\/li>\n<li>monitoring QC using internal QC (IQC) and external <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a> service (EQAS) programs.<\/li><\/ul>\n<h3><span class=\"mw-headline\" id=\"Post-analytical_errors\">Post-analytical errors<\/span><\/h3>\n<p>This stage refers to transmission of data from analyzers to the LIS, validation of results that have been produced, and posting of the results to physicians or patients in a timely fashion in order for the analytical work to be of diagnostic and therapeutic utility. A wrong result is as equally bad as a late one, especially for critical values that, if not reported at the right time to the right physician, would delay lifesaving intervention. Common post-analytical errors include incorrect calculation or unit of measurement, transcription error, delay in delivering the results to the physicians, clinic or patient results being sent to the wrong patient, and loss of the results.<sup id=\"rdp-ebb-cite_ref-:2_7-4\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_13-1\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup>\n<\/p><p>Automation has helped reduce these errors, for example by directly transferring results from an instrument to an LIS. Linking the availability of critical values directly to the mobile patient portal of the healthcare provider has further reduced time to a notification.<sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup>\n<\/p><p>Consequences of errors at any level can lead to delayed results, repeated visits, avoidable multiple sample collection actions, and incorrect results, and thereby incorrect or delayed diagnosis and treatment. The quality of patient care is compromised, adding to the overall cost and patient dissatisfaction, and at worst having lethal repercussions.<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Quality_control\">Quality control<\/span><\/h2>\n<p>Irrespective of the phase during which an error occurs, defending the authenticity of the analytical result lies with the laboratory.<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> Reducing laboratory errors not only increases the confidence of reporting physicians but also of the patients in the system and helps curb any unnecessary expenditure of the hospital and lab. Thus it is of interest to check laboratory errors occurring in each laboratory and formulate corrective measures to avoid them.<sup id=\"rdp-ebb-cite_ref-:0_1-7\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup> This is where QC comes in, as do the elements of accuracy and precision. These elements can be defined as such:\n<\/p>\n<ul><li><b>Accuracy<\/b>: Accuracy refers to the closeness of a result to the actual value (i.e., true value). It is generally measured by direct comparison to a reference by using QC serum, with an accurate value assigned to it by the manufacturer.<sup id=\"rdp-ebb-cite_ref-:3_13-2\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><\/li>\n<li><b>Precision<\/b>: Precision refers to the reproducibility or closeness of values to each other.<sup id=\"rdp-ebb-cite_ref-:3_13-3\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><\/li><\/ul>\n<p>Ideally, a laboratory should be trying for both high accuracy and precision. These can be gauged using statistical tools.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Statistical_tools_and_terminology_used_in_the_laboratory_for_QC\">Statistical tools and terminology used in the laboratory for QC<\/span><\/h3>\n<p>It is very well-known that treatment of patients depends to a great extent on the reports generated by the clinical laboratory. As such, the results generated by the laboratory should be accurate. The laboratory data which is generated needs to be summarized in order to monitor test performance, i.e., quality control.<sup id=\"rdp-ebb-cite_ref-:4_17-0\" class=\"reference\"><a href=\"#cite_note-:4-17\">[17]<\/a><\/sup> Statistical analysis that considers normal or Gaussian distribution comes into play here. These distribution models form the basis of statistical QC theory. A Gaussian curve indicates that about 68 percent of all values would fall within one standard deviation from the mean, while 95 percent would be expected to fall within two standard deviations and 99.7 percent would be expected to fall within three standard deviations. If the value falls between one standard deviation range, it indicates a good control.<sup id=\"rdp-ebb-cite_ref-:3_13-4\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup>\n<\/p><p>Terms used in statistical analysis include<sup id=\"rdp-ebb-cite_ref-:3_13-5\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_18-0\" class=\"reference\"><a href=\"#cite_note-:5-18\">[18]<\/a><\/sup>:\n<\/p>\n<ul><li><b>Mean<\/b>: This is the most commonly used term. It is the sum of data divided by the number of observations.<\/li>\n<li><b>Mode<\/b>: This is the value that occurs most frequently in a list of observations. It is not affected by extreme values.<\/li>\n<li><b>Median<\/b>: This is the number that occupies the central position when the data is arranged in ascending or descending manner.<\/li>\n<li><b>Standard deviation (SD)<\/b>: This is a measure of how much the data varies around the mean. It is a primary indicator of precision. It is very useful to the laboratory in analyzing QC results.<\/li>\n<li><b>Coefficient of variation (CV)<\/b>: This is the ratio of standard deviation to the mean and is expressed as a percentage.<\/li>\n<li><b>Standard deviation index (SDI)<\/b>: This is the difference between individual value subtracted from the group mean divided by the SD of the group, also known as the Z-statistic. It is used for peer-group comparison.<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Quality_control_in_the_laboratory\">Quality control in the laboratory<\/span><\/h2>\n<p>The QC process monitors and evaluates the analytical process that produces patient results. The aim of QC is to evaluate the errors in the pre-analytical, analytical, and post-analytical phases before test results are reported. The question of reliability for most testing can be resolved by regular use of QC materials. Further, reliability of test results is ensured by regular testing of QC products and statistical process control<sup id=\"rdp-ebb-cite_ref-:5_18-1\" class=\"reference\"><a href=\"#cite_note-:5-18\">[18]<\/a><\/sup> before running patient samples. QC results are acceptable when they are in the acceptable range of the error limit and are unacceptable when results show excessive errors and are out-of-range.<sup id=\"rdp-ebb-cite_ref-:5_18-2\" class=\"reference\"><a href=\"#cite_note-:5-18\">[18]<\/a><\/sup> We now take a look at QC materials and other methods of QC in the lab.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"QC_materials\">QC materials<\/span><\/h3>\n<p>QC materials resemble human serum, plasma, blood, urine and cerebrospinal fluid and contain analytes of known concentration which are determined by the laboratory, ideally in concentration close to the decision limits where medical decision is required. These QC materials can be liquid (ready-to-use) or freeze dried (lyophilized). They need to be stable for prolonged periods without any interfering preservatives; easy to store and dispense; free from communicable diseases like bacteria, viruses, and fungi; and affordable. Control samples with the same analytes but different concentrations are called levels. Normal level control contains normal levels for the analyte being tested. Abnormal level control contains the analyte at a concentration above or below the normal range for the analyte. Different levels check the performance of laboratory methods across all their measuring range. In most cases, control samples are manufactured by analyzer or reagent manufacturers, but they can also be made by laboratory personnel.<sup id=\"rdp-ebb-cite_ref-:2_7-5\" class=\"reference\"><a href=\"#cite_note-:2-7\">[7]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_13-6\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_18-3\" class=\"reference\"><a href=\"#cite_note-:5-18\">[18]<\/a><\/sup>\n<\/p><p>Irrespective of the size of the laboratory, minimum two levels of QC should be run once on the day of performing the test. If the laboratory is operational round the clock, two level controls should be run in the peak hour, subsequently one level every eight hours.<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup> In addition to above, after an instrument\u2019s servicing, a change in reagent lots, after calibration, and whenever patient results seem inappropriate, QC material should be run to assure the results. This can be done with the help of IQC and EQAS, which are complementary to each other.<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup> IQC includes all QC methods which are performed everyday by the laboratory personnel to check primarily the precision (repeatability or reproducibility) of the method with the laboratory\u2019s materials and equipment. While EQAS comprises of all QC methods which are performed periodically (i.e., every month, every two months, twice a year) by the laboratory personnel with the contribution of an external center (e.g., referral laboratory, scientific associations, diagnostic industry, etc.), reflecting primarily the accuracy of the laboratory\u2019s analytical methods. IQC and EQAS are compared in (Table\/Fig 1).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Naphade_JofClinDiagRes2023_17-2.jpg\" class=\"image wiki-link\" data-key=\"0ab4fe0ec08762bc161a8fb951e080f0\"><img alt=\"Fig1 Naphade JofClinDiagRes2023 17-2.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/4e\/Fig1_Naphade_JofClinDiagRes2023_17-2.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Table\/Figure 1.<\/b> Comparison between IQC and EQAS.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"QC_charts\">QC charts<\/span><\/h3>\n<p>QC is a statistical process. QC charts are used to represent the values of control material within the defined upper and lower limit. The following are important charting methods.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Levey-Jennings_chart\">Levey-Jennings chart<\/span><\/h4>\n<p>The Levey-Jennings chart is the most important control chart in laboratory QC. It can be used in IQC and EQAS as well. It detects all kinds of analytical errors (random and systematic) and is used for the estimation of their magnitude.<sup id=\"rdp-ebb-cite_ref-:6_21-0\" class=\"reference\"><a href=\"#cite_note-:6-21\">[21]<\/a><\/sup> This graphical method displays controls values and evaluates whether a procedure is in-control or out-of-control. Daily control values are plotted versus time. Lines are drawn from point to point to better understand any systematic or random errors.<sup id=\"rdp-ebb-cite_ref-:6_21-1\" class=\"reference\"><a href=\"#cite_note-:6-21\">[21]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Westgard_rules\">Westgard rules<\/span><\/h4>\n<p>Error detection in the analytical phase of sample processing can be done with the help of Westgard rules.<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup> Westgard devised a shorthand notation for expressing QC rules, such as \"NL,\" where N represents the number of control observations to be evaluated and L represents the statistical limit for evaluating the control observations. These rules can be applied as single rules and as multi-rules. It also helps to decide whether the analytical run is in-control or out-of-control. (Table\/Fig 2) shows Westgard rules and their interpretation.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Naphade_JofClinDiagRes2023_17-2.jpg\" class=\"image wiki-link\" data-key=\"0efa0bd001c236d4653cfcab22a28958\"><img alt=\"Fig2 Naphade JofClinDiagRes2023 17-2.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/47\/Fig2_Naphade_JofClinDiagRes2023_17-2.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Table\/Figure 2.<\/b> Westgard rules and their interpretation.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Important steps to follow in case of QC failure are stop testing samples\/release of reports, searching for recent events that could have caused the changes, examining environmental conditions like change in room temperature or humidity, following the manufacturer\u2019s troubleshooting guide, root cause analysis (RCA), and corrective and preventive actions (CAPA). Corrective action stops the occurrence of non-conformities. Corrective action has to be taken when there is a problem. Preventive action gives the opportunity to prevent potential non-conformities and determine the type of error.<sup id=\"rdp-ebb-cite_ref-:4_17-1\" class=\"reference\"><a href=\"#cite_note-:4-17\">[17]<\/a><\/sup>\n<\/p><p>QC errors (errors in the analytical process) are classified into systematic errors and random errors. Some errors encounter as both. Random error affects individual samples in a random and unpredictable manner, with a lack of reproducibility. It may be due to air bubbles in the reagents, inadequately mixed reagents, unstable temperature and incubation, unstable power supply, Fibrin clot in the sample probe, poor operator technique, or sudden failure or change in the light source. Systematic error displaces the mean value in one direction, which may go up and down and affect every test in a constant predictable manner.<sup id=\"rdp-ebb-cite_ref-:4_17-2\" class=\"reference\"><a href=\"#cite_note-:4-17\">[17]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Shifts_and_trends\">Shifts and trends<\/span><\/h3>\n<p>A shift is when the QC values move suddenly upwards or downwards from the mean and continue the same way, mathematically changing the mean, which in turn may be due to change in reagent lot and\/or calibrator lot, change in temperature of incubators and reaction blocks, inaccurate calibration, etc. A trend is when the QC value slowly moves up or down from the mean and continues moving the same direction over time, which in turn may be due to deterioration of reagents\/calibrators\/control material, deterioration of instrument light source, gradual accumulation of debris in sample and\/or reagent tubing, and failing calibration.<sup id=\"rdp-ebb-cite_ref-:4_17-3\" class=\"reference\"><a href=\"#cite_note-:4-17\">[17]<\/a><\/sup>\n<\/p><p>Random and systematic errors must be detected at an early stage, and every effort should be taken in order to minimize them. These can be avoided by having well-trained staff; well-designed SOPs; regular maintenance of instruments, temperature controls, and electrical supplies; and thorough checking of the results.<sup id=\"rdp-ebb-cite_ref-:4_17-4\" class=\"reference\"><a href=\"#cite_note-:4-17\">[17]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusion\">Conclusion<\/span><\/h2>\n<p>Laboratory investigations are a major contributor to most clinical decisions and one of the indispensable tools in modern healthcare. QC is one of the components of quality management and is a statistical way to monitor and evaluate the analytical process. QC not only ensures credibility of the laboratory but also generates confidence of customers in the laboratory's results. Reliable and confident laboratory testing avoids misdiagnosis, delayed treatment, and unnecessary costing of repeat testing. As such, the individual laboratory should assess and analyze their own QC process to find out the possible root cause of any digressive test results which are not correlating with patients' clinical presentation or expected response to treatment. Vigorous QC processes observing the latest technical advancements will contribute to the reduction in resource wastage and the minimization of errors in patient management.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>None declared.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-:0-1\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_1-0\">1.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-1\">1.1<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-2\">1.2<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-3\">1.3<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-4\">1.4<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-5\">1.5<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-6\">1.6<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-7\">1.7<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Panchbudhe, Sanjyoti; 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St. Louis, Mo: Elsevier, Saunders. pp. 485-529. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-7216-0189-2.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Chapter+19%3A+Quality+Management&rft.atitle=Tietz+textbook+of+clinical+chemistry+and+molecular+diagnostics%3A+with+12+color+plates&rft.aulast=Westgard%2C+J.O.%3B+Klee%2C+G.G&rft.au=Westgard%2C+J.O.%3B+Klee%2C+G.G&rft.date=2006&rft.pages=pp.%26nbsp%3B485-529&rft.edition=4.+ed&rft.place=St.+Louis%2C+Mo&rft.pub=Elsevier%2C+Saunders&rft.isbn=978-0-7216-0189-2&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Vice Chancellor St.Peters University, Avadi, Chennai.; Ravichandran, S. (16 April 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ijmsr.org\/admin\/selected\/IJMSR2017-91-039IJMSR2017-91-039.pdf\" target=\"_blank\">\"Internet Connected High Tech Street Lighting System Using RTOS\"<\/a>. <i>International Journal of MC Square Scientific Research<\/i> <b>9<\/b> (1): 331\u2013334. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.20894%2FIJMSR.117.009.001.039\" target=\"_blank\">10.20894\/IJMSR.117.009.001.039<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/ijmsr.org\/admin\/selected\/IJMSR2017-91-039IJMSR2017-91-039.pdf\" target=\"_blank\">http:\/\/ijmsr.org\/admin\/selected\/IJMSR2017-91-039IJMSR2017-91-039.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Internet+Connected+High+Tech+Street+Lighting+System+Using+RTOS&rft.jtitle=International+Journal+of+MC+Square+Scientific+Research&rft.aulast=Vice+Chancellor+St.Peters+University%2C+Avadi%2C+Chennai.&rft.au=Vice+Chancellor+St.Peters+University%2C+Avadi%2C+Chennai.&rft.au=Ravichandran%2C%26%2332%3BS.&rft.date=16+April+2017&rft.volume=9&rft.issue=1&rft.pages=331%E2%80%93334&rft_id=info:doi\/10.20894%2FIJMSR.117.009.001.039&rft_id=http%3A%2F%2Fijmsr.org%2Fadmin%2Fselected%2FIJMSR2017-91-039IJMSR2017-91-039.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Dzik, Walter H. (1 January 2007). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1365-2141.2006.06373.x\" target=\"_blank\">\"New technology for transfusion safety\"<\/a> (in en). <i>British Journal of Haematology<\/i> <b>136<\/b> (2): 181\u2013190. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Fj.1365-2141.2006.06373.x\" target=\"_blank\">10.1111\/j.1365-2141.2006.06373.x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0007-1048\" target=\"_blank\">0007-1048<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1365-2141.2006.06373.x\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1365-2141.2006.06373.x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=New+technology+for+transfusion+safety&rft.jtitle=British+Journal+of+Haematology&rft.aulast=Dzik&rft.aufirst=Walter+H.&rft.au=Dzik%2C%26%2332%3BWalter+H.&rft.date=1+January+2007&rft.volume=136&rft.issue=2&rft.pages=181%E2%80%93190&rft_id=info:doi\/10.1111%2Fj.1365-2141.2006.06373.x&rft.issn=0007-1048&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2Fj.1365-2141.2006.06373.x&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Boyd, J.C.; Hawker, C.D. (2006). \"Chapter 11: Automation in the Clinical Laboratory\". In Burtis, Carl A.; Ashwood, Edward R.; Bruns, David E. <i>et al.<\/i>. <i>Tietz textbook of clinical chemistry and molecular diagnostics: with 12 color plates<\/i> (4. ed ed.). St. Louis, Mo: Elsevier, Saunders. pp. 269\u201370. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-7216-0189-2.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Chapter+11%3A+Automation+in+the+Clinical+Laboratory&rft.atitle=Tietz+textbook+of+clinical+chemistry+and+molecular+diagnostics%3A+with+12+color+plates&rft.aulast=Boyd%2C+J.C.%3B+Hawker%2C+C.D.&rft.au=Boyd%2C+J.C.%3B+Hawker%2C+C.D.&rft.date=2006&rft.pages=pp.%26nbsp%3B269%E2%80%9370&rft.edition=4.+ed&rft.place=St.+Louis%2C+Mo&rft.pub=Elsevier%2C+Saunders&rft.isbn=978-0-7216-0189-2&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">World Health Organization (2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.who.int\/publications\/i\/item\/9789241548274\" target=\"_blank\">\"Chapter 3: Equipment\"<\/a>. <i>Laboratory quality management system: Handbook<\/i>. World Health Organization. pp. 35\u201348. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 9789241548274<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.who.int\/publications\/i\/item\/9789241548274\" target=\"_blank\">https:\/\/www.who.int\/publications\/i\/item\/9789241548274<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Chapter+3%3A+Equipment&rft.atitle=Laboratory+quality+management+system%3A+Handbook&rft.aulast=World+Health+Organization&rft.au=World+Health+Organization&rft.date=2011&rft.pages=pp.%26nbsp%3B35%E2%80%9348&rft.pub=World+Health+Organization&rft.isbn=9789241548274&rft_id=https%3A%2F%2Fwww.who.int%2Fpublications%2Fi%2Fitem%2F9789241548274&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Harr, Kendal E.; Flatland, Bente; Nabity, Mary; Freeman, Kathleen P. (1 December 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/vcp.12101\" target=\"_blank\">\"ASVCP guidelines: allowable total error guidelines for biochemistry\"<\/a> (in en). <i>Veterinary Clinical Pathology<\/i> <b>42<\/b> (4): 424\u2013436. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Fvcp.12101\" target=\"_blank\">10.1111\/vcp.12101<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0275-6382\" target=\"_blank\">0275-6382<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/vcp.12101\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/vcp.12101<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=ASVCP+guidelines%3A+allowable+total+error+guidelines+for+biochemistry&rft.jtitle=Veterinary+Clinical+Pathology&rft.aulast=Harr&rft.aufirst=Kendal+E.&rft.au=Harr%2C%26%2332%3BKendal+E.&rft.au=Flatland%2C%26%2332%3BBente&rft.au=Nabity%2C%26%2332%3BMary&rft.au=Freeman%2C%26%2332%3BKathleen+P.&rft.date=1+December+2013&rft.volume=42&rft.issue=4&rft.pages=424%E2%80%93436&rft_id=info:doi\/10.1111%2Fvcp.12101&rft.issn=0275-6382&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2Fvcp.12101&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-13\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_13-0\">13.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-1\">13.1<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-2\">13.2<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-3\">13.3<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-4\">13.4<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-5\">13.5<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-6\">13.6<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFKarkalousosEvangelopoulos2011\">Karkalousos, Petros; Evangelopoulos, Angelos (26 April 2011), Ivanov, Ognyan, ed., <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.intechopen.com\/books\/applications-and-experiences-of-quality-control\/quality-control-in-clinical-laboratories\" target=\"_blank\">\"Quality Control in Clinical Laboratories\"<\/a> (in en), <i>Applications and Experiences of Quality Control<\/i> (InTech), <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5772%2F15865\" target=\"_blank\">10.5772\/15865<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-953-307-236-4<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.intechopen.com\/books\/applications-and-experiences-of-quality-control\/quality-control-in-clinical-laboratories\" target=\"_blank\">http:\/\/www.intechopen.com\/books\/applications-and-experiences-of-quality-control\/quality-control-in-clinical-laboratories<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-11-13<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Quality+Control+in+Clinical+Laboratories&rft.jtitle=Applications+and+Experiences+of+Quality+Control&rft.aulast=Karkalousos&rft.aufirst=Petros&rft.au=Karkalousos%2C%26%2332%3BPetros&rft.au=Evangelopoulos%2C%26%2332%3BAngelos&rft.date=26+April+2011&rft.pub=InTech&rft_id=info:doi\/10.5772%2F15865&rft.isbn=978-953-307-236-4&rft_id=http%3A%2F%2Fwww.intechopen.com%2Fbooks%2Fapplications-and-experiences-of-quality-control%2Fquality-control-in-clinical-laboratories&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Park, Hae-il; Min, Won-Ki; Lee, Woochang; Park, Hyosoon; Park, Chan-Jeoung; Chi, Hyun-Sook; Chun, Sail (2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/18469361\" target=\"_blank\">\"Evaluating the short message service alerting system for critical value notification via PDA telephones\"<\/a>. <i>Annals of Clinical and Laboratory Science<\/i> <b>38<\/b> (2): 149\u2013156. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1550-8080\" target=\"_blank\">1550-8080<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/18469361\" target=\"_blank\">18469361<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/18469361\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/18469361<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Evaluating+the+short+message+service+alerting+system+for+critical+value+notification+via+PDA+telephones&rft.jtitle=Annals+of+Clinical+and+Laboratory+Science&rft.aulast=Park&rft.aufirst=Hae-il&rft.au=Park%2C%26%2332%3BHae-il&rft.au=Min%2C%26%2332%3BWon-Ki&rft.au=Lee%2C%26%2332%3BWoochang&rft.au=Park%2C%26%2332%3BHyosoon&rft.au=Park%2C%26%2332%3BChan-Jeoung&rft.au=Chi%2C%26%2332%3BHyun-Sook&rft.au=Chun%2C%26%2332%3BSail&rft.date=2008&rft.volume=38&rft.issue=2&rft.pages=149%E2%80%93156&rft.issn=1550-8080&rft_id=info:pmid\/18469361&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F18469361&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Green, Sol F. (1 September 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009912013002786\" target=\"_blank\">\"The cost of poor blood specimen quality and errors in preanalytical processes\"<\/a> (in en). <i>Clinical Biochemistry<\/i> <b>46<\/b> (13-14): 1175\u20131179. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.clinbiochem.2013.06.001\" target=\"_blank\">10.1016\/j.clinbiochem.2013.06.001<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009912013002786\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009912013002786<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+cost+of+poor+blood+specimen+quality+and+errors+in+preanalytical+processes&rft.jtitle=Clinical+Biochemistry&rft.aulast=Green&rft.aufirst=Sol+F.&rft.au=Green%2C%26%2332%3BSol+F.&rft.date=1+September+2013&rft.volume=46&rft.issue=13-14&rft.pages=1175%E2%80%931179&rft_id=info:doi\/10.1016%2Fj.clinbiochem.2013.06.001&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0009912013002786&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Chawla, Ranjna; Goswami, Binita; Tayal, Devika; Mallika, V (1 February 2010). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/labmed\/article-lookup\/doi\/10.1309\/LM9JXZBMLSVJT9RK\" target=\"_blank\">\"Identification of the Types of Preanalytical Errors in the Clinical Chemistry Laboratory: 1-Year Study at G.B. Pant Hospital\"<\/a> (in en). <i>Laboratory Medicine<\/i> <b>41<\/b> (2): 89\u201392. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1309%2FLM9JXZBMLSVJT9RK\" target=\"_blank\">10.1309\/LM9JXZBMLSVJT9RK<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0007-5027\" target=\"_blank\">0007-5027<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/labmed\/article-lookup\/doi\/10.1309\/LM9JXZBMLSVJT9RK\" target=\"_blank\">https:\/\/academic.oup.com\/labmed\/article-lookup\/doi\/10.1309\/LM9JXZBMLSVJT9RK<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Identification+of+the+Types+of+Preanalytical+Errors+in+the+Clinical+Chemistry+Laboratory%3A+1-Year+Study+at+G.B.+Pant+Hospital&rft.jtitle=Laboratory+Medicine&rft.aulast=Chawla&rft.aufirst=Ranjna&rft.au=Chawla%2C%26%2332%3BRanjna&rft.au=Goswami%2C%26%2332%3BBinita&rft.au=Tayal%2C%26%2332%3BDevika&rft.au=Mallika%2C%26%2332%3BV&rft.date=1+February+2010&rft.volume=41&rft.issue=2&rft.pages=89%E2%80%9392&rft_id=info:doi\/10.1309%2FLM9JXZBMLSVJT9RK&rft.issn=0007-5027&rft_id=https%3A%2F%2Facademic.oup.com%2Flabmed%2Farticle-lookup%2Fdoi%2F10.1309%2FLM9JXZBMLSVJT9RK&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-17\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_17-0\">17.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_17-1\">17.1<\/a><\/sup> <sup><a href=\"#cite_ref-:4_17-2\">17.2<\/a><\/sup> <sup><a href=\"#cite_ref-:4_17-3\">17.3<\/a><\/sup> <sup><a href=\"#cite_ref-:4_17-4\">17.4<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation book\">Kaur, V.; Kare, P.K.; Madaan, H. (2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.researchgate.net\/publication\/335830829_Quality_Control_in_a_Clinical_Laboratory\" target=\"_blank\">\"Quality Control in a Clinical Laboratory\"<\/a>. <i>Advances in Biochemistry & Applications in Medicine<\/i>. Open Access eBooks. pp. 1\u20139. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-93-87500-49-5<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.researchgate.net\/publication\/335830829_Quality_Control_in_a_Clinical_Laboratory\" target=\"_blank\">https:\/\/www.researchgate.net\/publication\/335830829_Quality_Control_in_a_Clinical_Laboratory<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Quality+Control+in+a+Clinical+Laboratory&rft.atitle=Advances+in+Biochemistry+%26+Applications+in+Medicine&rft.aulast=Kaur%2C+V.%3B+Kare%2C+P.K.%3B+Madaan%2C+H.&rft.au=Kaur%2C+V.%3B+Kare%2C+P.K.%3B+Madaan%2C+H.&rft.date=2018&rft.pages=pp.%26nbsp%3B1%E2%80%939&rft.pub=Open+Access+eBooks&rft.isbn=978-93-87500-49-5&rft_id=https%3A%2F%2Fwww.researchgate.net%2Fpublication%2F335830829_Quality_Control_in_a_Clinical_Laboratory&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-18\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_18-0\">18.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_18-1\">18.1<\/a><\/sup> <sup><a href=\"#cite_ref-:5_18-2\">18.2<\/a><\/sup> <sup><a href=\"#cite_ref-:5_18-3\">18.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Cooper, G. (2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/sscc.med.sa\/wp-content\/uploads\/2022\/07\/Basic-Lessons-in-Laboratory-Quality-Control-.pdf\" target=\"_blank\">\"Basic Lessons in Laboratory Quality Control\"<\/a> (PDF). Bio-Rad Laboratories, Inc<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/sscc.med.sa\/wp-content\/uploads\/2022\/07\/Basic-Lessons-in-Laboratory-Quality-Control-.pdf\" target=\"_blank\">https:\/\/sscc.med.sa\/wp-content\/uploads\/2022\/07\/Basic-Lessons-in-Laboratory-Quality-Control-.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Basic+Lessons+in+Laboratory+Quality+Control&rft.atitle=&rft.aulast=Cooper%2C+G.&rft.au=Cooper%2C+G.&rft.date=2008&rft.pub=Bio-Rad+Laboratories%2C+Inc&rft_id=https%3A%2F%2Fsscc.med.sa%2Fwp-content%2Fuploads%2F2022%2F07%2FBasic-Lessons-in-Laboratory-Quality-Control-.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">National Accreditation Board for Testing and Calibration Laboratories (NABL) (11 February 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nabl-india.org\/wp-content\/uploads\/2019\/02\/NABL-112_Issue-No.-04.pdf\" target=\"_blank\">\"Specific Criteria for Accreditation of Medical Laboratories\"<\/a>. National Accreditation Board for Testing and Calibration Laboratories<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nabl-india.org\/wp-content\/uploads\/2019\/02\/NABL-112_Issue-No.-04.pdf\" target=\"_blank\">https:\/\/www.nabl-india.org\/wp-content\/uploads\/2019\/02\/NABL-112_Issue-No.-04.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Specific+Criteria+for+Accreditation+of+Medical+Laboratories&rft.atitle=&rft.aulast=National+Accreditation+Board+for+Testing+and+Calibration+Laboratories+%28NABL%29&rft.au=National+Accreditation+Board+for+Testing+and+Calibration+Laboratories+%28NABL%29&rft.date=11+February+2019&rft.pub=National+Accreditation+Board+for+Testing+and+Calibration+Laboratories&rft_id=https%3A%2F%2Fwww.nabl-india.org%2Fwp-content%2Fuploads%2F2019%2F02%2FNABL-112_Issue-No.-04.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sheik, S.M.; Silvia, W.D. (2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ijcdr.net\/admin\/php\/uploads\/95_pdf.pdf\" target=\"_blank\">\"Quality Control in Clinical Biochemistry Laboratory: A Glimpse\"<\/a> (PDF). <i>International Journal of Clinical and Diagnostic Research<\/i> <b>5<\/b> (5): 1<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ijcdr.net\/admin\/php\/uploads\/95_pdf.pdf\" target=\"_blank\">https:\/\/www.ijcdr.net\/admin\/php\/uploads\/95_pdf.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Quality+Control+in+Clinical+Biochemistry+Laboratory%3A+A+Glimpse&rft.jtitle=International+Journal+of+Clinical+and+Diagnostic+Research&rft.aulast=Sheik%2C+S.M.%3B+Silvia%2C+W.D.&rft.au=Sheik%2C+S.M.%3B+Silvia%2C+W.D.&rft.date=2017&rft.volume=5&rft.issue=5&rft.pages=1&rft_id=https%3A%2F%2Fwww.ijcdr.net%2Fadmin%2Fphp%2Fuploads%2F95_pdf.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Levey, S.; Jennings, E. R. (1 November 1950). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/14783086\" target=\"_blank\">\"The use of control charts in the clinical laboratory\"<\/a>. <i>American Journal of Clinical Pathology<\/i> <b>20<\/b> (11): 1059\u20131066. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fajcp%2F20.11_ts.1059\" target=\"_blank\">10.1093\/ajcp\/20.11_ts.1059<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0002-9173\" target=\"_blank\">0002-9173<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/14783086\" target=\"_blank\">14783086<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/14783086\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/14783086<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+use+of+control+charts+in+the+clinical+laboratory&rft.jtitle=American+Journal+of+Clinical+Pathology&rft.aulast=Levey&rft.aufirst=S.&rft.au=Levey%2C%26%2332%3BS.&rft.au=Jennings%2C%26%2332%3BE.+R.&rft.date=1+November+1950&rft.volume=20&rft.issue=11&rft.pages=1059%E2%80%931066&rft_id=info:doi\/10.1093%2Fajcp%2F20.11_ts.1059&rft.issn=0002-9173&rft_id=info:pmid\/14783086&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F14783086&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Westgard, J O; Barry, P L; Hunt, M R; Groth, T (1 March 1981). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/clinchem\/article\/27\/3\/493\/5666613\" target=\"_blank\">\"A multi-rule Shewhart chart for quality control in clinical chemistry.\"<\/a> (in en). <i>Clinical Chemistry<\/i> <b>27<\/b> (3): 493\u2013501. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fclinchem%2F27.3.493\" target=\"_blank\">10.1093\/clinchem\/27.3.493<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0009-9147\" target=\"_blank\">0009-9147<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/clinchem\/article\/27\/3\/493\/5666613\" target=\"_blank\">https:\/\/academic.oup.com\/clinchem\/article\/27\/3\/493\/5666613<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+multi-rule+Shewhart+chart+for+quality+control+in+clinical+chemistry.&rft.jtitle=Clinical+Chemistry&rft.aulast=Westgard&rft.aufirst=J+O&rft.au=Westgard%2C%26%2332%3BJ+O&rft.au=Barry%2C%26%2332%3BP+L&rft.au=Hunt%2C%26%2332%3BM+R&rft.au=Groth%2C%26%2332%3BT&rft.date=1+March+1981&rft.volume=27&rft.issue=3&rft.pages=493%E2%80%93501&rft_id=info:doi\/10.1093%2Fclinchem%2F27.3.493&rft.issn=0009-9147&rft_id=https%3A%2F%2Facademic.oup.com%2Fclinchem%2Farticle%2F27%2F3%2F493%2F5666613&rfr_id=info:sid\/en.wikipedia.org:Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with changes to presentation, spelling, and grammar as needed. The PMCID and DOI were added when they were missing from the original reference. No other changes were made in accordance with the \"NoDerivatives\" portion of the content license.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104033250\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.692 seconds\nReal time usage: 0.805 seconds\nPreprocessor visited node count: 21848\/1000000\nPost\u2010expand include size: 173262\/2097152 bytes\nTemplate argument size: 57181\/2097152 bytes\nHighest expansion depth: 23\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 51379\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 547.389 1 -total\n 81.65% 446.918 1 Template:Reflist\n 59.76% 327.135 22 Template:Citation\/core\n 50.01% 273.748 15 Template:Cite_journal\n 10.57% 57.854 1 Template:Infobox_journal_article\n 10.38% 56.808 19 Template:Date\n 9.55% 52.280 4 Template:Cite_book\n 9.09% 49.761 1 Template:Infobox\n 7.61% 41.631 34 Template:Citation\/identifier\n 6.45% 35.300 1 Template:Citation\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14467-0!canonical and timestamp 20240104033250 and revision id 53429. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance\">https:\/\/www.limswiki.org\/index.php\/Journal:Quality_control_in_the_clinical_biochemistry_laboratory:_A_glance<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","ef663f8356a7165b6ddd6515adb76256_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/4e\/Fig1_Naphade_JofClinDiagRes2023_17-2.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/47\/Fig2_Naphade_JofClinDiagRes2023_17-2.jpg"],"ef663f8356a7165b6ddd6515adb76256_timestamp":1704389298,"a0b27afa6b48d2776ba321524c2ad2bc_type":"article","a0b27afa6b48d2776ba321524c2ad2bc_title":"Management and disclosure of quality issues in forensic science: A survey of current practice in Australia and New Zealand (Heavey et al. 2023)","a0b27afa6b48d2776ba321524c2ad2bc_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand","a0b27afa6b48d2776ba321524c2ad2bc_plaintext":"\n\nJournal:Management and disclosure of quality issues in forensic science: A survey of current practice in Australia and New ZealandFrom LIMSWikiJump to navigationJump to searchFull article title\n \nManagement and disclosure of quality issues in forensic science: A survey of current practice in Australia and New ZealandJournal\n \nForensic Science International: SynergyAuthor(s)\n \nHeavey, Anna L.; Turbett, Gavin R.; Houck, Max M.; Lewis, Simon W.Author affiliation(s)\n \nCurtin University, PathWest Laboratory Medicine, Florida International UniversityPrimary contact\n \ns dot lewis at curtin dot edu dot auYear published\n \n2023Volume and issue\n \n7Article #\n \n100339DOI\n \n10.1016\/j.fsisyn.2023.100339ISSN\n \n2589-871XDistribution license\n \nCreative Commons Attribution-NonCommercial-NoDerivs 4.0 InternationalWebsite\n \nhttps:\/\/www.sciencedirect.com\/science\/article\/pii\/S2589871X23000268Download\n \nhttps:\/\/www.sciencedirect.com\/science\/article\/pii\/S2589871X23000268\/pdfft (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Survey methodology and participant demographics \n4 Survey results and discussion \n\n4.1 Accreditation of disciplines \n4.2 Quality issue management \n\n4.2.1 What is considered a \u201cquality issue\u201d? \n4.2.2 How are \u201cquality issues\u201d recorded? \n4.2.3 Reporting and delivery of results \n4.2.4 Quality assurance programs \n4.2.5 Audits and documented procedures \n4.2.6 Equipment issues \n4.2.7 Customer feedback and monitoring of court testimony \n4.2.8 Recording of \"near miss\" events \n\n\n4.3 Terminology \n4.4 Disclosure of quality issues \n\n\n5 Conclusions \n6 Acknowledgements \n\n6.1 Author contributions \n6.2 Competing interests \n\n\n7 References \n8 Notes \n\n\n\nAbstract \nThe investigation of quality issues detected within the forensic process is a critical feature in robust quality management systems (QMSs) to provide assurance of the validity of reported laboratory results and inform strategies for continuous improvement and innovation. A survey was conducted to gain insight into the current state of practice in the management and handling of quality issues amongst the government service provider agencies of Australia and New Zealand. The results demonstrate the value of standardized quality system structures for the recording and management of quality issues, but also areas where inconsistent reporting increases the risk of overlooking important data to inform continuous improvement. With new international changes requiring mandatory reporting of quality issues, this highlights compliance challenges that agencies will face. This study reinforces the need for further research into the standardization of systems underpinning the management of quality issues in forensic science to support transparent and reliable justice outcomes.\nKeywords: forensic science, quality issues, error, accreditation, disclosure\n\nIntroduction \nThe origins of modern quality management in forensic science can be traced back to the mid-twentieth century with the introduction of drunk driving legislation compelling testing laboratories to develop protocols for result validation, chain of custody, and sample storage conditions.[1] Since then, the field of forensic quality management has flourished through the development of international networks and professional organizations, reviews and inquiries into best practices, and the standardization of testing systems and methodologies. At the same time, accreditation of forensic science service provider agencies has become the expected norm and increased worldwide.[1] Whether operating as an accredited service or not, the importance of robust and fit-for-purpose quality management systems (QMSs) in forensic science cannot be understated in their ability to provide assurance that results being produced by forensic service providers are accurate, consistent, and on-time.\nIn Australia and New Zealand, the major providers of forensic science services are government agencies, and the structure of these providers varies between the countries and states\/territories. Services in each jurisdiction are provided by one or more government sectors, with some jurisdictions\u2019 service provided solely by the police, and others split between multiple government sectors, including health, justice, and science.[2] The directors of the government forensic agencies in Australia and New Zealand form the Australia New Zealand Forensic Executive Committee (ANZFEC), which sits as a governing body of the Australia New Zealand Policing Advisory Agency \u2013 National Institute of Forensic Science (ANZPAA-NIFS). ANZPAA-NIFS was established in 1992 with a strategic intent to promote and facilitate excellence in forensic science in the region.[2] The cross-jurisdictional oversight of ANZFEC and ANZPAA-NIFS is an important component in the overarching quality management of forensic science service provision in Australia and New Zealand, facilitating collaborative relationships between agencies and the wider forensic community to champion innovation, address priority needs, and promote the ongoing development and quality of the field.[3]\nCrucial to the continuous improvement of any QMS, including forensic QMSs, is the identification and prevention of risks that may adversely affect the quality of the product or result. These risks may be identified proactively (preventative) or after an issue has been identified and addressed (corrective).[4] Forensic QMSs, such as those designed to comply with the requirements of ISO\/IEC 17025[4], are required to have processes in place for the management of these laboratory quality issues. In the ISO\/IEC 17025 standard, this requirement is detailed under section 7.10 \u201cNonconforming work,\u201d and the wording used is: \u201cThe laboratory shall have a procedure that shall be implemented when any aspect of its laboratory activities or results of this work do not conform to its own procedures or the agreed requirements of the customer.\u201d The instructions for how the nonconformity is to be actioned are provided later in the standard under section 8.7 \u201cCorrective actions\u201d and can be summarized as follows:\n\nTake action to control the nonconformity and correct it;\nTake action to address the consequences of the nonconformity;\nAnalyze the nonconformity to determine the root cause and, where necessary,;\nTake action to address the root cause to prevent reoccurrence of the nonconformity, and subsequently;\nAssess the effectiveness of the new control measures.\nWith many forensic service agencies operating QMSs compliant with standards such as ISO\/IEC 17025, a wealth of information on the types of issues detected in forensic processes is available, with the potential to be shared and collated for purposes including detecting trends, identifying opportunities for research and development, and facilitating interagency comparison and benchmarking.[5]\nHowever, there is limited published data on quality issues detected within forensic service provider agencies internationally. A fundamental concern for agencies with sharing this data publicly may be the risk of potential misuse or misunderstanding of the information. This concern may be further compounded by the lack of standardization in how that information is collected between agencies and the terminology used, making the sharing of this information difficult.[5] The implications of a lack of a standardized approach to quality issue investigation and management were highlighted in late 2022 by The Commission of Inquiry into Forensic DNA Testing in Queensland, particularly with regards to the perceived risk to transparency where a consistent approach is not apparent.[6]\nRecent changes to new statutory guidance documents in the UK and international accreditation requirements highlights that this lack of standardization presents a current and urgent challenge to the field. The UK Forensic Science Regulator Code of Practice (released March 2023 and coming into effect in October 2023) requires the forensic unit (defined within the Code as \u201ca legal entity or a defined part of a legal entity that performs any part of a forensic science activity\u201d) to inform the Regulator of non-conforming work or \u201cquality failures\u201d that have the potential to attract adverse public comment, be against the public interest, or lead to a miscarriage of justice.[7] The American National Standards Institute - National Accreditation Board (ANAB) published AR 3125:2023 Accreditation Requirements for Forensic Testing and Calibration Laboratories in February 2023, with a new clause for proficiency testing requiring the laboratory to notify ANAB within 30 days when an expected result is not attained.[8] Both of these documents go further than the ISO\/IEC 17025 standard in providing examples of the types of \u201cnon-conforming work\u201d or \u201cunexpected results\u201d that would compel reporting. However, the examples are not exhaustive in what might be seen in an operational forensic agency and thus are open to interpretation. The subjective application of requirements such as these invites risks, for example, the over-reporting of unwarranted issues may choke the resources of both the reporting agency and the regulator or accreditation body being reported to, preventing timely and effective carriage of justice and action on critical findings. Under-reporting of critical issues, even if done with no malicious intent, risks not only the perceived integrity of the forensic agency, but also the non-identification of systemic issues potentially threatening justice outcomes and public confidence in forensic science. The matter of mandatory reporting is complicated further by the fact that some quality issues only become apparent a considerable time later, whether being undetected at the time or not categorized as a quality issue at the time as technology or reporting thresholds evolve. For example, in the case of reanalysis of cold case DNA evidence collected many years prior, when testing methods were not sensitive enough to detect underlying contaminants[9], or where retrospective review of method validation studies identifies deficiencies in the analysis used to set analytical thresholds that have been in operation for a considerable time.[6] Therefore, the sense of security that a system of mandatory reporting provides to current investigations or court matters may be false, as undetected and unreported issues will inevitably still exist even in the most willing and compliant of environments.\nAs the foundation to a program of research investigating quality issues in forensic science, a survey was designed and conducted on the current state of practice in forensic quality management and the management of quality issues amongst the government forensic service provider agencies of Australia and New Zealand. The objective of the survey was to gain perspective on the diversity of forensic services offered by these agencies and the quality structures surrounding them, along with insights into the current categorization, management, and disclosure of quality issues within those agencies. With the focus on transparent reporting of quality issues in forensic science now gaining momentum in international jurisdictions, the issue of effective communication on these issues is a clear and present concern to the field. This paper presents the results of this survey within the context of current practice in forensic quality management. Further we discuss these results and their significance in the environment of operational forensic science service provider agencies.\n\nSurvey methodology and participant demographics \nThe survey was designed and conducted using the online tool Qualtrics for ease of use and submission by participants.\nThe target participants for this survey were forensic quality practitioners or forensic practitioners involved in the management of quality issues working in the government forensic science service provider agencies of Australia and New Zealand. A request to approach suitable participants was made to ANZFEC via ANZPAA-NIFS. The agencies with representatives on the Quality Specialist Advisory Group (QSAG) of ANZPAA-NIFS were targeted. Permission was granted by all of the 15 agencies represented on QSAG to allow the research team to approach their staff. An invitation to potential participants was circulated to the QSAG members by ANZPAA-NIFS on behalf of the research team, and the invitation stated that it could also be forwarded to other suitable practitioners within the agency. Invitees who responded positively were forwarded a participant information sheet and participation consent form for return. Upon confirmation of consent, a unique alphanumeric identifier was assigned and forwarded to the participant along with a link to the online survey tool. The unique identifier was generated using online random number and letter generators and was to be used to ensure that each survey response was de-identified to anyone outside of the research team.\nThe participants were required to enter their unique identifier on the front page of the survey and to confirm consent before they were able to progress into the survey questions. Other than the unique identifier, no identifying information on the participants or the agency they represented was collected in the survey tool. The survey consisted of multiple sections, with certain questions only being displayed based on previous answers. The survey was designed to allow participants to return to previous questions and amend responses or pause and restart the survey at any time prior to final submission. The section designations in the survey are reflected in the headings presented in the results below.\nSurvey questions were designed as either requiring selection from a set of provided options (nominal scale), or as free text fields for unstructured data collection. All questions with options provided also included a space for additional free text comment to be made. All questions were set as forced response.\nThe full survey logic and functionality was pretested prior to deployment by volunteers outside of the research team with familiarity of the subject matter.\nUptake for the survey was successful with 16 participants from 13 of the 15 QSAG agencies responding. The participants represent all of the states and territories of Australia (including the federal jurisdiction), and New Zealand. All participants in the survey self-declared as being employed in a quality manager or quality practitioner role, with more than 85% of respondents indicating that their quality management role was responsible for multiple forensic science disciplines.\n\nSurvey results and discussion \nAccreditation of disciplines \nWith accreditation of ANZFEC agencies being a mandated aim for the region[1], it is not surprising that all agencies represented by the survey participants are accredited to ISO\/IEC 17025. However, the responses presented in Fig. 1 show that, of the various forensic disciplines that are represented across the agencies surveyed, some are not accredited across all the agencies where that discipline is offered and, in a few cases, none of the agencies where the discipline is available are accredited for that service.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. Accreditation status of forensic disciplines represented in survey participant agencies.\n\n\n\nThe survey responses with regards to the non-accreditation or partial accreditation of some disciplines may be indicative of the particular challenges associated with these areas. For example, in the case of anthropology and odontology, very few of the agencies surveyed were responsible for the provision of these services (three agencies and two agencies, respectively), and all are part of multidisciplinary forensic service agencies. The highly specialized nature of these fields, coupled with accreditation for these disciplines being under a different international standard (ISO 15189) to the other disciplines within the same agencies (ISO\/IEC 17025) may be a consideration made for business decisions not to pursue accreditation. Entomology is a similarly rare field amongst the surveyed agencies, only offered by one. In the case of disciplines where there is a sole subject matter expert, the logistics of requirements such as technical peer review of results can be a barrier to accreditation in cases of limited staffing resources and may lend a preference to testing validity of the science and results as part of the court evidence process.[10]\nThe field of electronic evidence deals in an environment of rapidly changing technology and evidence types. This presents other unique challenges from an accreditation perspective, for example, the swift adoption of new and novel analysis techniques may preclude lengthy validation studies or the ability to source appropriate and relevant proficiency testing programs.[11] The field of facial identification (or facial image comparison) faces similar challenges to electronic evidence management, with the rapidly changing nature of image samples being presented and technology available to perform analysis. Further, the contrasting techniques of manual examiner comparison and automated facial recognition, along with the diversity of applications the techniques may be used for in different jurisdictions can make the development of standardized practice difficult, although expert scientific working groups are progressing this space.[12][13]\n\nQuality issue management \n What is considered a \u201cquality issue\u201d? \nEvidence of how the forensic facility identifies and mitigates risks to the quality of results and how it identifies and manages nonconforming work is an accreditation requirement, meaning that records must be kept and available. Whilst the standards are explicit in the necessity for these quality issues to be noted, managed, and recorded, the nature of what constitutes a \u201cquality issue\u201d worthy of recording is less clear.[4][14]\nAll participants indicated that their agency has a documented process for the management of quality issues (including one which is a new document currently being drafted). Other than the one in draft, all participants also noted that the documented process included instructions for the logging\/recording of quality issues.\nParticipants were asked to indicate which types of issues would generally be considered as a \u201cquality issue\u201d that needed to be managed\/logged against a list of provided examples (Table 1).\n\n\n\n\n\n\n\nTable 1. Survey responses to \u201cWhich of the following types of issues would generally be considered as a 'quality issue' to be managed\/logged?\u201d\n\n\nDescription of issue\n\nNumber of affirmative responses from 16 survey participants (%)\n\n\nCustomer\/client complaints\n\n16 (100%)\n\n\nA documented procedure was not followed\n\n15 (94%)\n\n\nA reported\/disclosed result requires correction\n\n15 (94%)\n\n\nNon-conformance identified at audit\n\n15 (94%)\n\n\nResults could have been invalidated\/delayed\n\n14 (88%)\n\n\nFailure\/investigation of an external QAP\n\n14 (88%)\n\n\nResults were invalidated\/unable to be reported\n\n13 (81%)\n\n\nCritical equipment failure\n\n13 (81%)\n\n\nThe content of a disclosed report, other than the result, requires correction\n\n12 (75%)\n\n\nCustomer\/client compliments\n\n12 (75%)\n\n\nCourt testimony feedback\n\n12 (75%)\n\n\nFailure\/investigation of an internal QAP\n\n11 (69%)\n\n\nRecommendations identified at audit\n\n11 (69%)\n\n\nCustomer\/client feedback (non-complaint or compliment)\n\n9 (56%)\n\n\nResults were delayed\n\n8 (50%)\n\n\nNon-critical equipment failure\n\n7 (44%)\n\n\n\nThe responses across the participants demonstrate high agreement in some categories, with all participants managing\/logging customer complaints and 15 out of the 16 participants agreeing that adherence to documented procedures, correction of issued results, and non-conformances identified at audit were all considered \u201cquality issues\u201d requiring management\/logging. The single negative response for each of these categories was received from participants representing the same agency but responsible for different disciplines. One of these disciplines within the agency is not accredited to ISO\/IEC 17025, which may influence the response given.\nParticipant responses were split on whether delayed results (exceeding agreed reporting time to client) would be managed\/logged as \u201cquality issues.\u201d The issue of timely provision of results has been noted as an area of concern for the industry for some time, both in the risk of delays to the justice system[15][16] and as a risk to the provision of quality scientific services.[17] Reasons for this divide in answers may be due to the nuances of individual agency client service level agreements (or equivalent arrangements) where there is either no agreed reporting times specified, or an accepted percentage of delayed reports allowed before it is considered a nonconformity. To analyze the root cause of this discrepancy between participants, this category will be explored further in future research stages.\nParticipants were provided with an opportunity to list any other types of issues, in their own words, that would generally be considered as quality issues for management\/logging. Comments were received from three participants, and included:\n\r\n\n\n\u201cRisk identified\u201d;\n\u201cPlanned deviation from process\u201d; and\n\u201cIssues relating to chain of custody, training, procedural errors or deficiencies, fieldwork or environmental conditions, facilities and software (upgrades, limitations, outages).\u201d\nThose responses where limited detail was provided will be explored further in later phases of the research.\n\n How are \u201cquality issues\u201d recorded? \nMuch like the category of issues which require management\/logging, the specifics of how these issues are to be recorded is also undefined in the standard requirements. The predominant tool (or form) associated with QMSs prescribed by ISO\/IEC 17025 and ISO 9001[14], (along with other management systems, such as ISO 45001: Occupational health and safety management systems[18]) is the corrective action request (CAR). A CAR is a mechanism of documenting a problem or potential problem identified in the management system which requires that the root cause of the problem be mitigated or removed to prevent recurrence.[19] Generally, the CAR process will also include documentation of the details of the investigation conducted to determine the root cause of the problem, actions taken to address the root cause, and evidence to demonstrate that the effectiveness of those actions has been reviewed and additional actions taken as required.\nA root cause is the underlying issue that resulted in the non-conformance or issue. Root cause analysis (RCA) is the process used to identify the root cause of any issue.[20] There are several approaches to conducting an RCA involving a variety of methods and tools.[21] RCA can be considered a component of problem-solving, with the outcome providing information on the fundamental cause of an issue to be removed or mitigated to facilitate continuous improvement of the QMS.\nCARs may be recognized by other names depending on the organization, for example, an \u201copportunity for improvement request\u201d or a \u201ccontinuous improvement request\u201d. However named, the process of having a mechanism for the documentation of issues detected (actual or potential) in the QMS and the actions taken to address these is a critical component of these systems and one of the most valuable tools in the continuous improvement cycle, if utilized effectively.[21]\nIn the context of forensic science service provision, maintaining records of issues identified is not just a necessary feature of the QMS, but also crucial in demonstrating the robustness of the analysis process and subsequent results being provided.[9] Transparency with regards to the analytical and interpretive process involves not only demonstrating the scientific validity of the methodology being used but also the clear and accurate communication of any limitations to be associated with the results provided, which includes the clear disclosure of issues that were identified during the process and how these may influence the validity of the results obtained.\nAs noted above, the specifics of what types of issues are recorded and how these issues are recorded is not defined in the guiding management system standards. All forensic service providers operating to one of the ISO standards will have some version of a CAR in their systems; however, this may not be used to record all issues detected, and alternative methods of documentation will be used either instead of, or in addition to, the CAR.\nTo better understand the various means used to record the types of quality issues identified in Table 1, survey participants who indicated that a particular issue would be logged were asked to indicate how each type of issue would be recorded within their agency. To accommodate types of issues which may be recorded in different ways dependent on the particular situation, participants were able to select multiple methods of recording for each issue type, as applicable. The responses were grouped into the following categories for the purposes of review and discussion: Reporting and delivery of results; Quality assurance programs; Equipment issues; Audits and documented procedures, and; Customer feedback and monitoring of court testimony.\n\nReporting and delivery of results \nThe provision of accurate, timely, and unambiguous results is a fundamental measure of the successful provision of forensic science services, and therefore issues that are identified which affect the delivery of those results require close attention.[22] Issues related to the reporting and delivery of results were among the highest logged by participants in the survey (Table 1), with the highest proportion of participants indicating that issues where a reported or disclosed result required correction (15 out of 16) would be recorded. The next two highest recorded issues included scenarios where results were invalidated or unable to be reported (13 out of 16), and where results could have been invalidated or delayed (14 out of 16).\nHowever, whilst all respondents logging these issues indicated that a root cause analysis would be performed in the case of invalid or unreportable results, only 72% indicated the same would be performed for results that could have been delayed (Fig. 2).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 2. Methods of recording issues related to reporting and delivery of results that participants indicated may be used within their agency.\n\n\n\nAlthough only half of participants indicated that actual delayed reporting of results was deemed as a quality issues requiring recording (Table 1), all of those participants who do record actual delays would document these as a CAR (or equivalent) and perform root cause analysis (Fig. 2).\n\nQuality assurance programs \nQuality assurance programs (QAPs) are used by forensic science agencies to test the systems and processes in place.[22] The nature of QAPs can vary greatly and will be dependent on the nature of the services being provided. QAPs can be both internal (programs developed in-house to monitor system capability and competency such as testing of samples where ground truth is known by the program administrator or monitoring of contamination minimization processes through environmental samples) or external (programs sourced externally such as commercial proficiency testing programs or inter-laboratory comparison exercises). When used effectively, QAPs assist the agency to identify vulnerabilities in the quality system and are a valuable tool in the proactive identification of risks to the quality of results. Just as importantly, QAPs can highlight successes in the quality system and provide tangible evidence of the robustness of the procedures in place to protect the agency's quality of output.\nWhere the results of QAPs indicate a possible failure or risk in the system this may be deemed a quality issue for investigation, and in the case of external QAPs, 14 of the 16 respondents indicated this would be recorded. By comparison, only 11 respondents would log the same for an internal QAP (Table 1). All of those who would log these issues indicated that they may involve root cause analysis in the management of the issue (Fig. 3).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 3. Methods of recording issues related to Quality Assurance Programs (QAPs) that participants indicated may be used within their agency.\n\n\n\nAudits and documented procedures \nAudits are a flagship component of any QMS as a means of monitoring the compliance of the agency's system against the standard it has been designed to meet, as well as how that system aligns with the actual processes and procedures being performed within the agency.[22] A robust forensic science audit program will include review of both the competence of the QMS and processes, as well as technical (scientific) competence. Where the actual practice does not conform with the required (or documented) practice, a non-conformance will be noted by the auditor to be investigated and addressed by the auditee.\nSupporting the QMS is the requirement for the agency to document the system, including the processes and procedures used, as part evidence of its compliance with the guiding standard.[4] It is therefore the expectation that actual practice will be performed in accordance with the documented practice. Misalignment of these two factors can be indicative of risks to quality outputs, introducing the potential for inconsistent application of processes, or procedures which are outside the scope of required standards. Fifteen out of 16 survey respondents indicated that they would log both non-conformances identified at audit and where a documented procedure was not followed as quality issues (Table 1), and over 90% of those indicated that the investigation may include a root cause analysis (Fig. 4). This high level of recording and investigative analysis of issues related to audit findings and documented procedures suggests that surveyed agencies place great significance of these types of issues as a symptom of risk to quality.\n\n\n\n\n\n\n\n\n\nFigure 4. Methods of recording issues related to audits and documented procedures that participants indicated may be used within their agency.\n\n\n\nEquipment issues \nEquipment involved in the provision of forensic science services can be loosely grouped into the categories of \"critical\" and \"non-critical.\" The distinction between the two being the degree to which the failure of the equipment impacts on the validity of results. For example, a genetic analyzer used to perform DNA analysis is critical to the DNA testing process, whereas the flask used to measure a general cleaning reagent for dilution is non-critical.\nEquipment which has an effect on the validity of results must be considered with regards to its selection, implementation, performance monitoring, and ongoing maintenance.[4] However, dependent on the criticality of the piece of equipment, the procedures required to assure this may vary. In the survey, participants were asked to consider whether equipment failure would be considered a quality issue and whether the distinction of critical versus non-critical became a factor. Thirteen out of 16 participants would record a critical equipment failure, whilst only seven would record failure of non-critical equipment (Table 1). Of those, 100% would consider logging the critical failures as a CAR with a root cause analysis, whist non-critical equipment failures are more likely to be managed without root cause analysis (Fig. 5).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 5. Methods of recording issues related to equipment that participants indicated may be used within their agency.\n\n\n\nThis demonstrates the perceived distinction between critical and non-critical with regards to equipment used in the forensic process and the impact it has on the provision of a quality service. In this survey, the terms \"critical\" and \"non-critical\" were not defined for the participants, therefore the responses received will be subjective dependent on the understanding of these terms. How these terms are defined and designated for the purposes of managing quality issues will be explored in future studies.\n\nCustomer feedback and monitoring of court testimony \nFor any service-based business, a strong knowledge of customer needs and expectations is crucial to designing fit-for-purpose service delivery strategies. Seeking regular and varied customer feedback to measure how the service aligns with those expectations is a standard feature of such models.[14] In that respect, forensic science service provision is a complex beast. In Australia and New Zealand, the majority of forensic science services are operated by government agencies to provide for the jurisdictions they represent, so when it comes to \u201cseeking customer feedback,\u201d who do we define as the customer? For the purposes of this standard requirement, the baseline used by most agencies will be those individuals or institutions who have a direct liaison with the outputs of the agency, for example the investigators who submit the exhibits for testing or the legal counsel who receive the reports for trial and call the analysts as expert witnesses. Other sources of external feedback may also be incorporated, such as independent reviews of the service provider or feedback related to the forensic service in the form of legal judgement transcripts.\n\u201cCustomer feedback\u201d for the purposes of this survey was categorized as either complaints or compliments\/feedback (non-complaint or compliment). \u201cCustomer complaints\u201d was the only type of quality issue surveyed which was noted as being logged by 100% of participants (Table 1), with almost all respondents indicating that root cause analysis would be considered in the event of a complaint (Fig. 6). The use of CARs as a logging tool across all types of customer feedback was much lower than amongst other types of issues, and a higher proportion of respondents indicated that other methods of logging customer feedback (inclusive of complaints, compliments and feedback) would be used, generally being some form of customer feedback database.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 6. Methods of recording issues related to customer feedback that participants indicated may be used within their agency.\n\n\n\nThe role of the forensic scientist as expert witness is often the ultimate conclusion in the forensic service process, and one which is responsible for translating analytical methodologies and the significance of the results into a public forum to be evaluated in the context of an adversarial legal system (in Australia and New Zealand). Thus, the monitoring of forensic expert court testimony plays an important part in quality assurance of the forensic process. Although court testimony monitoring is a requirement for forensic facilities accredited to ISO\/IEC 17025, how this is to be managed is not specified.[8][23] Individual agency procedures may account for the few participants who did not indicate that \u201cCourt testimony feedback\u201d would be logged as a quality issue. How this feedback is captured and managed will be investigated further in subsequent stages of this project.\n\n Recording of \"near miss\" events \nA number of the issues participants were asked to respond to may be considered as indicative of a potential issue in the quality system that requires action, but not a scenario where an actual non-conformance has occurred. These types of events may be referred to as \u201cnear miss\u201d events. The results of the survey indicated that the proportion of participants who would consider logging \u201cnear miss\u201d events as quality issues is notably lower than for events where a non-conformance has occurred (Fig. 7).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 7. Type of quality issue grouped by whether non-conformance has occurred, or is indicative of potential issue (\u201cnear miss\u201d), and percentage of participants who would log this as a \u201cquality issue.\u201d\n\n\n\nThe lists in Fig. 7 were also compared with the corresponding data for each issue on whether root cause analysis may be used in the investigation from Fig. 2, Fig. 3, Fig. 4, Fig. 5, and Fig. 6. For the events where a non-conformance has occurred, the combined average of responses indicating that root cause analysis may be used across all events listed was 92%, whereas the average for the listed \u201cnear miss\u201d events was only 74%.\nThe differences in the rates of recording and level of investigation used for \u201cnear miss\u201d events compared with other quality issues highlights an important area for consideration with regards to quality issue management in forensics. Whilst there can be limited arguments against the importance of the identification, analysis, and correction of actual non-conformances within the QMS, a core feature of robust quality management is the design of systems to identify risks to quality so that they can be proactively strengthened to prevent non-conformances from even occurring in the first place.[24] This is where the identification of \u201cnear miss\u201d events becomes critical to inform continuous, preventive improvement of the quality system, and consideration should be given to applying root cause analysis at this stage in order to determine the most effective means of preventing issues from occurring. Failing to log and action near-miss events will likely lead to an increase in actual non-conformances, some of which could have been prevented from occurring.\n\nTerminology \nInconsistent definitions of terminology related to \u201cerror\u201d and associated issues in forensic science have been noted as a key challenge to the transparent communication on this topic not just with end users of forensic information and the public, but also between forensic agencies themselves.[25] Only two participants in this survey indicated that their agency has a documented glossary of terms related to quality issues, with a further seven respondents indicating that \u201csome\u201d terms are defined within relevant standard operating procedures as appropriate.\nAll respondents were asked to define (based on their own knowledge and expertise) a number of terms commonly associated with quality issues, with selected results for some of the terms surveyed presented in Table 2.\n\n\n\n\n\n\n\nTable 2. Selected survey participant definitions of terms commonly associated with quality issues in forensic science.\n\n\nTerm\n\nSelected participant definitions provided\n\n\nNon-conformance\n\n\u201cDeparture from an approved procedure, standard or regulatory requirement. Can also include non-conforming results where a quality check (blank, known standard) has not passed acceptance criteria.\u201d - Participant 10\r\n \r\n\u201cA failure to meet or not adhering to a requirement in the standard against which the facility is accredited - e.g. not performing a procedure as per the facility's documented standard operating procedure.\u201d - Participant 13\r\n \r\n\u201cNon-compliance with a standard, unexpected result, issue that has or potential to have impact on quality of work.\u201d - Participant 8\r\n \r\n\u201cSomething deviating from process or procedures in the quality management system.\u201d - Participant 5\r\n \r\n\u201cA failure to meet requirements set out in the Quality Manual, procedures\/methods, AS ISO\/IEC 17025 or other regulating bodies.\u201d - Participant 15\n\n\nContamination\n\n\u201cThe presence of an artefact that was not part of the original item.\u201d - Participant 1\r\n \r\n\u201cWhen another variable has been introduced to a sample or test, reducing the confidence of the test as being a 'true' result.'\u201d - Participant 10\r\n \r\n\u201cAs a more general definition, contamination would be the unintentional or undesired introduction of material that is exogenous to the exhibit\/subsample after the point it is contained\/bought into control\/custody.\u201d - Participant 13\r\n \r\n\u201cWhere an artefact has impacted on a result.\u201d - Participant 16\r\n \r\n\u201cThe presence of an unexpected or unintended agent (e.g., biological, chemical), foreign material (e.g., trace) or substance (e.g., drug) that has the potential to negatively impact results.\u201d - Participant 14\n\n\nError\n\n\u201cData that has been reported on incorrectly.\u201d - Participant 6\r\n \r\n\u201cA mistake in the work being carried out. Mostly referring to human as the cause - but could be instrument related.\u201d - Participant 5\r\n \r\n\u201cWhen a mistake has been made due to not following procedures or factors that could influence results have not been detected.\u201d - Participant 10\r\n \r\n\u201cSomething demonstrably inaccurate e.g., wrong number, units, result, name, date, time or documented procedure not followed.\u201d - Participant 2\r\n \r\n\u201cDifference between the result obtained with the correct or expected result.\u201d - Participant 9\r\n \r\n\u201cA mistake or accident - related to accuracy.\u201d - Participant 15\r\n \r\n\u201cThere is no consistency to the term error. It could mean where there is an incorrect result, a problem with documentation or an issue with an instrument or computer.\u201d - Participant 16\n\n\n\nConsistency in the definitions provided for some terms was high between participants (see \u201cnon-conformance\u201d), whereas others indicated a range of rationales behind understandings of the terms. In particular, the definitions of \u201cerror\u201d provided by participants demonstrate a breadth of potential meanings for the term, with one participant even noting that \u201cthis term is not used by our organization or categorized under our notification (non-conformance) system.\u201d\nDifferences in key quality management terminology, including commonly used terms such as \u201cerror,\u201d are apparent in the survey results, highlighting the difficulties that may arise in being able to compare quality issue data between agencies to identify trends at an inter-jurisdictional level. In the context of recently released mandatory reporting requirements on quality issues from the UK Forensic Regulator and ANAB[7][8], these differences in language used have the potential to influence inconsistent reporting, even inadvertently, which may have implications for the agency with regards to conclusions made from data based on the rate of reported quality issue types.\n\nDisclosure of quality issues \nAll participants indicated that records of quality issues are disclosed to external recipients; however, less than half indicated that these would be disclosed at the same time as case results. The remaining responses indicated that such records are disclosed upon request. Some participants noted that contributing factors as to whether such records are disclosed include whether the quality issue affects the item being reported, whether it is being requested under the Freedom of Information Act or court order, or where the decision is at the discretion of the reporting analyst.\nInconsistent approaches to disclosure may be overcome by mandatory reporting frameworks, such as the Code of Practice issued by the UK Forensic Science Regulator.[7] Frameworks such as these are designed with the aim of enhancing transparency and oversight of risks to quality, the value of which cannot be argued. However, unless the underlying systems to ensure that the integrity and consistency of the reporting are sufficiently standardized, there will always be a risk of unnecessary over-reporting or inadvertent under-reporting of issues, both having outcomes which undermine the just intent of the measures. In addition, it is inevitable that certain issues may not be detected and reported until after legal proceedings are complete or may only become apparent as an issue as the sensitivity of testing methodologies increases over time. Mandatory reporting frameworks will have associated expectations and, potentially, public expectations as to their effectiveness in assuring safety and transparency. Delayed reporting of issues may be viewed adversely against those expectations if not managed and communicated effectively, and this should be considered by the forensic community.\n\nConclusions \nWithin the context of the Australian and New Zealand forensic community, the results of this survey demonstrate how the commitment to accreditation has resulted in considerable consistency in the QMSs in place within agencies. This consistency also translates to how several types of quality issues detected within those systems would be recorded, investigated, and managed, with RCA being applied for the majority of non-conformances identified. However, the survey results also demonstrate that this level of analysis is less consistently applied for events that could be indicators of an underlying quality issue, or a \u201cnear miss.\u201d ISO\/IEC 17025 requirements provide limited definition of the criteria by which a laboratory determines the significance of a nonconformity, which requires action and subsequent analysis to determine the root cause and, therefore, for compliance the laboratory must make its own determinations on the significance of issues. This can lead to \u201cnear miss\u201d events not being recorded in the same manner as observed non-conformances and, more significantly, not being investigated with the same level of scrutiny to determine the root cause. This appears to be at odds with the risk-based and proactive intent of modern QMSs and highlights an opportunity for all forensic agencies and networks to advocate practice beyond just compliance to enhance their continuous improvement programs through the thorough and rigorous identification and analysis of \u201cnear miss\u201d events.\nFurther, it is important to note that the management of quality issues for the improvement of systems is not just about the detection of adverse, negative events. \u201cNear miss\u201d events\u2014such as where results may have been invalidated or where an internal QAP picked up an issue in the system before it affected results, although they may be considered \u201cquality issues\u201d\u2014are positive indicators that the QMS is working effectively by proactive identification of risks, which can be investigated and actioned to prevent reoccurrence. Additional positive system indicators may come in the form of customer compliments or positive feedback on court testimony. Combining the data from the analysis of positive indicators alongside the cause analysis of adverse events provides the agency with a deeper understanding of the root causes identified and, therefore, has the potential to inform more meaningful and effective corrective action to eliminate risks.\nThis foundational study supports the need for further research into the development of standardized systems of critical issue classification, management and disclosure in forensic science, as highlighted by the increased international demand for mandatory reporting and transparency.[6][7][8] Although the Australian and New Zealand forensic service provision community may be small when considered against international counterparts, the size and isolation of this community has enabled an enviable level of control and oversight across all its jurisdictions for an extended period. Since the creation of the National Institute of Forensic Science in 1992 and subsequent development of governance structures from both policing and scientific branches of forensic investigation, the progression of standardized practice in forensic science across Australia and New Zealand has moved largely by consensus, led by the government agencies that provide the majority of forensic services. This highly effective and active governance network also places Australia and New Zealand in a unique position to make holistic change to forensic science service provision policy across the entire region to assure equitable access to high-quality, contemporary forensic services.\nThrough further investigations involving the Australian and New Zealand forensic science community, along with examination of international jurisdictions and approaches to critical issue management and analysis from other high-risk fields, this ongoing research aims to develop an evidence-based standard terminology for quality issues in forensic science to support data sharing and reporting, enhance understanding of quality issues, and promote transparency in forensic science. A common language forms the basis for a taxonomic system for the categorization of critical issues to support the consistent and effective communication of quality issues, whether through mandatory reporting obligations, effective delivery of forensic information in investigations or as evidence, or to enhance public understandings of forensic science and the significance of \u201cerror\u201d in the pursuit of open and reliable forensic science services to support justice outcomes.\n\nAcknowledgements \nThe authors wish to thank the survey participants for their responses and generosity of time. We would also like to acknowledge the involvement and support of ANZFEC for the approval to conduct this survey, and ANZPAA-NIFS for their assistance in approaching ANZFEC and disseminating the invitation to participate. Thanks also to Dr. Matthew Thompson and the members of the Perceptual Expertise Advanced Research Lab at Murdoch University for their advice on survey research and design. Portions of this manuscript were presented at the 25th International Symposium of the Australia New Zealand Forensic Science Society held in Brisbane, Australia, 11 - 15 September 2022. This study has been approved by the Curtin University Human Research Ethics Committee (approval number HRE2021-0252).\n\nAuthor contributions \nAnna Heavey \u2013 Conceptualization, Methodology, Formal analysis, Visualization, Investigation, Writing \u2013 Original Draft, Writing \u2013 Review & Editing.\nGavin Turbett - Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision.\nMax Houck \u2013 Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision.\nSimon Lewis - Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision, Project administration.\nCompeting interests \nThe authors declare the following financial interests\/personal relationships which may be considered as potential competing interests: At the time of the survey being conducted, Anna Heavey was Chair of the Quality Specialist Advisory Group,3. and Dr. Gavin Turbett was Chair of the Australia New Zealand Forensic Executive Committee. As an Editorial Board Member of Forensic Science International: Synergy, Professor Simon Lewis had no involvement in the peer review of this manuscript. Dr. Max Houck, the Editor in Chief of Forensic Science International: Synergy, is a member of the first author's doctoral committee. He has had input on early drafts of this manuscript prior to selecting a journal for publication. A Senior Editor has handled the administration and peer review process for the manuscript, and Dr. Houck has had no input on the processing of the manuscript except as co-author.\n\nReferences \n\n\n\u2191 1.0 1.1 1.2 Ross, Alastair; Neuteboom, Wim (4 May 2021). \"Implementation of quality management from a historical perspective:the forensic science odyssey\" (in en). Australian Journal of Forensic Sciences 53 (3): 359\u2013371. doi:10.1080\/00450618.2019.1704058. ISSN 0045-0618. https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2019.1704058 .   \n \n\n\u2191 2.0 2.1 Wilson-Wilde, L. (2021). \"The State of Forensic Science in Australia and New Zealand\". Forensic Science Review 33 (1): 2\u20136. ISSN 1042-7201. http:\/\/forensicsciencereview.com\/content.htm#v33 .   \n \n\n\u2191 Wilson-Wilde, Linzi (2 January 2017). \"The future of the National Institute of Forensic Science \u2013 implications for Australia and New Zealand\" (in en). Australian Journal of Forensic Sciences 49 (1): 1\u20138. doi:10.1080\/00450618.2016.1253773. ISSN 0045-0618. https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2016.1253773 .   \n \n\n\u2191 4.0 4.1 4.2 4.3 4.4 \"ISO\/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories\". International Organization for Standardization. March 2018. https:\/\/www.iso.org\/standard\/66912.html .   \n \n\n\u2191 5.0 5.1 Heavey, Anna L.; Turbett, Gavin R.; Houck, Max M.; Lewis, Simon W. (1 July 2022). \"Toward a common language for quality issues in forensic science\" (in en). WIREs Forensic Science 4 (4): e1452. doi:10.1002\/wfs2.1452. ISSN 2573-9468. https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wfs2.1452 .   \n \n\n\u2191 6.0 6.1 6.2 Sofronoff, W. (13 December 2022). \"Final Report: Commission of Inquiry into Forensic DNA testing in Queensland\" (PDF). https:\/\/www.health.qld.gov.au\/__data\/assets\/pdf_file\/0036\/1196685\/final-report-coi-dna-testing-qld-dec-2022.pdf .   \n \n\n\u2191 7.0 7.1 7.2 7.3 Forensic Science Regulator (March 2023). \"Code of Practice\" (PDF). https:\/\/assets.publishing.service.gov.uk\/government\/uploads\/system\/uploads\/attachment_data\/file\/1178250\/FINAL_2023.1.18_Code_of_Practice.pdf .   \n \n\n\u2191 8.0 8.1 8.2 8.3 \"Accreditation Requirements for Forensic Testing and Calibration (2023)\" (PDF). ANSI National Accreditation Board. 1 February 2023. https:\/\/anab.qualtraxcloud.com\/ShowDocument.aspx?ID=12371 .   \n \n\n\u2191 9.0 9.1 \"The State of Western Australia vs Edwards [No 7 [2020] WASC 339\"] (PDF). State of Western Australia. https:\/\/ecourts.justice.wa.gov.au\/eCourtsPortal\/Decisions\/DownloadDecision?id=9582e4ba-91ec-4119-998b-269447363aed .   \n \n\n\u2191 McCartney, Carole; Nsiah Amoako, Emmanuel (1 July 2019). \"Accreditation of forensic science service providers\" (in en). Journal of Forensic and Legal Medicine 65: 143\u2013145. doi:10.1016\/j.jflm.2019.04.004. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1752928X19300253 .   \n \n\n\u2191 Sommer, Peter (1 June 2018). \"Accrediting digital forensics: What are the choices?\" (in en). Digital Investigation 25: 116\u2013120. doi:10.1016\/j.diin.2018.04.004. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1742287618301701 .   \n \n\n\u2191 \"Best Practice Manual for Facial Image Comparison ENFSI-BPM-DI-01\" (PDF). European Network of Forensic Science Institutes. January 2018. https:\/\/enfsi.eu\/wp-content\/uploads\/2017\/06\/ENFSI-BPM-DI-01.pdf .   \n \n\n\u2191 \"Facial Identification Scientific Working Group\". Facial Identification Scientific Working Group. 2022. http:\/\/www.fiswg.org\/index.html .   \n \n\n\u2191 14.0 14.1 14.2 \"ISO 9001:2015 Quality management systems \u2014 Requirements\". International Organization for Standardization. September 2015. https:\/\/www.iso.org\/standard\/62085.html .   \n \n\n\u2191 Casey, Eoghan; Ferraro, Monique; Nguyen, Lam (1 November 2009). \"Investigation Delayed Is Justice Denied: Proposals for Expediting Forensic Examinations of Digital Evidence*\" (in en). Journal of Forensic Sciences 54 (6): 1353\u20131364. doi:10.1111\/j.1556-4029.2009.01150.x. ISSN 0022-1198. https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1556-4029.2009.01150.x .   \n \n\n\u2191 Charan, J.L.; Manikyam, K.S. (2023). \"Forensic Science and its Limitations in Rape and Murder Cases in India\". Journal of Forensic Science and Medicine 9 (1): 91\u201397. doi:10.4103\/jfsm.jfsm_98_21.   \n \n\n\u2191 Airlie, Melissa; Robertson, James; Krosch, Matt N.; Brooks, Elizabeth (1 March 2021). \"Contemporary issues in forensic science\u2014Worldwide survey results\" (in en). Forensic Science International 320: 110704. doi:10.1016\/j.forsciint.2021.110704. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073821000244 .   \n \n\n\u2191 \"ISO 45001:2018 Occupational health and safety management systems \u2014 Requirements with guidance for use\". International Organization for Standardization. March 2018. https:\/\/www.iso.org\/standard\/63787.html .   \n \n\n\u2191 Robitaille, D. (2011). The Corrective Action Handbook (2nd ed.). Paton Professional. ISBN 9781932828405.   \n \n\n\u2191 \"What Is Root Cause Analysis (RCA)?\". American Society for Quality. 2023. https:\/\/asq.org\/quality-resources\/root-cause-analysis .   \n \n\n\u2191 21.0 21.1 Houck, Max M. (6 December 2016). \"Risk, Reward, and Redemption: Root Cause Analysis in Forensic Organizations\" (in en). Forensic Science Policy & Management: An International Journal 7 (3-4): 106\u2013112. doi:10.1080\/19409044.2016.1224278. ISSN 1940-9044. https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/19409044.2016.1224278 .   \n \n\n\u2191 22.0 22.1 22.2 Heavey, Anna L. (2023), \"Principles of Quality Assurance\" (in en), Encyclopedia of Forensic Sciences, Third Edition (Elsevier): 290\u2013297, doi:10.1016\/b978-0-12-823677-2.00173-2, ISBN 978-0-12-823678-9, https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780128236772001732 . Retrieved 2023-10-17   \n \n\n\u2191 \"Specific Accreditation Criteria, ISO\/IEC 17025 Application Document, Legal (including Forensic Science) - Appendix\" (PDF). National Association of Testing Authorities. September 2023. https:\/\/nata.com.au\/files\/2021\/05\/Forensic-Science-ISO-IEC-17025-Appendix-effective-feb-2020.pdf .   \n \n\n\u2191 Sheikhtaheri, Abbas (1 June 2014). \"Near Misses and Their Importance for Improving Patient Safety\". Iranian Journal of Public Health 43 (6): 853\u2013854. ISSN 2251-6085. PMC 4475608. PMID 26110160. https:\/\/pubmed.ncbi.nlm.nih.gov\/26110160 .   \n \n\n\u2191 Christensen, Angi M.; Crowder, Christian M.; Ousley, Stephen D.; Houck, Max M. (1 January 2014). \"Error and its Meaning in Forensic Science\" (in en). Journal of Forensic Sciences 59 (1): 123\u2013126. doi:10.1111\/1556-4029.12275. ISSN 0022-1198. https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/1556-4029.12275 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with changes to presentation, spelling, and grammar as needed. The PMCID and DOI were added when they were missing from the original reference. Everything else remains true to the original article, per the \"NoDerivatives\" portion of the distribution license.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\">https:\/\/www.limswiki.org\/index.php\/Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on forensic scienceLIMSwiki journal articles on quality managementNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 17 October 2023, at 19:38.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 664 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","a0b27afa6b48d2776ba321524c2ad2bc_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Management_and_disclosure_of_quality_issues_in_forensic_science_A_survey_of_current_practice_in_Australia_and_New_Zealand rootpage-Journal_Management_and_disclosure_of_quality_issues_in_forensic_science_A_survey_of_current_practice_in_Australia_and_New_Zealand skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Management and disclosure of quality issues in forensic science: A survey of current practice in Australia and New Zealand<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p>The investigation of <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> issues detected within the <a href=\"https:\/\/www.limswiki.org\/index.php\/Forensic_science\" title=\"Forensic science\" class=\"wiki-link\" data-key=\"415d36a7b65494677b6d2873d5febec1\">forensic<\/a> process is a critical feature in robust <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_management_system\" title=\"Quality management system\" class=\"wiki-link\" data-key=\"dfecf3cd6f18d4a5e9ac49ca360b447d\">quality management systems<\/a> (QMSs) to provide assurance of the validity of reported <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> results and inform strategies for <a href=\"https:\/\/www.limswiki.org\/index.php\/Continual_improvement_process\" title=\"Continual improvement process\" class=\"wiki-link\" data-key=\"fd7b54be3f6cdd0e8ed84d501486d668\">continuous improvement<\/a> and innovation. A survey was conducted to gain insight into the current state of practice in the management and handling of quality issues amongst the government service provider agencies of Australia and New Zealand. The results demonstrate the value of standardized quality system structures for the recording and management of quality issues, but also areas where inconsistent reporting increases the risk of overlooking important data to inform continuous improvement. With new international changes requiring mandatory reporting of quality issues, this highlights compliance challenges that agencies will face. This study reinforces the need for further research into the standardization of systems underpinning the management of quality issues in forensic science to support transparent and reliable justice outcomes.\n<\/p><p><b>Keywords<\/b>: forensic science, quality issues, error, accreditation, disclosure\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>The origins of modern <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> management in <a href=\"https:\/\/www.limswiki.org\/index.php\/Forensic_science\" title=\"Forensic science\" class=\"wiki-link\" data-key=\"415d36a7b65494677b6d2873d5febec1\">forensic science<\/a> can be traced back to the mid-twentieth century with the introduction of drunk driving legislation compelling testing <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratories<\/a> to develop protocols for result validation, <a href=\"https:\/\/www.limswiki.org\/index.php\/Chain_of_custody\" title=\"Chain of custody\" class=\"wiki-link\" data-key=\"6ba04fe2bb1c8375e133455821aa3894\">chain of custody<\/a>, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">sample<\/a> storage conditions.<sup id=\"rdp-ebb-cite_ref-:0_1-0\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup> Since then, the field of forensic quality management has flourished through the development of international networks and professional organizations, reviews and inquiries into best practices, and the standardization of testing systems and methodologies. At the same time, accreditation of forensic science service provider agencies has become the expected norm and increased worldwide.<sup id=\"rdp-ebb-cite_ref-:0_1-1\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup> Whether operating as an accredited service or not, the importance of robust and fit-for-purpose <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_management_system\" title=\"Quality management system\" class=\"wiki-link\" data-key=\"dfecf3cd6f18d4a5e9ac49ca360b447d\">quality management systems<\/a> (QMSs) in forensic science cannot be understated in their ability to provide assurance that results being produced by forensic service providers are accurate, consistent, and on-time.\n<\/p><p>In Australia and New Zealand, the major providers of forensic science services are government agencies, and the structure of these providers varies between the countries and states\/territories. Services in each jurisdiction are provided by one or more government sectors, with some jurisdictions\u2019 service provided solely by the police, and others split between multiple government sectors, including health, justice, and science.<sup id=\"rdp-ebb-cite_ref-:1_2-0\" class=\"reference\"><a href=\"#cite_note-:1-2\">[2]<\/a><\/sup> The directors of the government forensic agencies in Australia and New Zealand form the Australia New Zealand Forensic Executive Committee (ANZFEC), which sits as a governing body of the Australia New Zealand Policing Advisory Agency \u2013 National Institute of Forensic Science (ANZPAA-NIFS). ANZPAA-NIFS was established in 1992 with a strategic intent to promote and facilitate excellence in forensic science in the region.<sup id=\"rdp-ebb-cite_ref-:1_2-1\" class=\"reference\"><a href=\"#cite_note-:1-2\">[2]<\/a><\/sup> The cross-jurisdictional oversight of ANZFEC and ANZPAA-NIFS is an important component in the overarching quality management of forensic science service provision in Australia and New Zealand, facilitating collaborative relationships between agencies and the wider forensic community to champion innovation, address priority needs, and promote the ongoing development and quality of the field.<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup>\n<\/p><p>Crucial to the <a href=\"https:\/\/www.limswiki.org\/index.php\/Continual_improvement_process\" title=\"Continual improvement process\" class=\"wiki-link\" data-key=\"fd7b54be3f6cdd0e8ed84d501486d668\">continuous improvement<\/a> of any QMS, including forensic QMSs, is the identification and prevention of risks that may adversely affect the quality of the product or result. These risks may be identified proactively (preventative) or after an issue has been identified and addressed (corrective).<sup id=\"rdp-ebb-cite_ref-:2_4-0\" class=\"reference\"><a href=\"#cite_note-:2-4\">[4]<\/a><\/sup> Forensic QMSs, such as those designed to comply with the requirements of <a href=\"https:\/\/www.limswiki.org\/index.php\/ISO\/IEC_17025\" title=\"ISO\/IEC 17025\" class=\"wiki-link\" data-key=\"0a89cebb34370dd860cce86881cbf29c\">ISO\/IEC 17025<\/a><sup id=\"rdp-ebb-cite_ref-:2_4-1\" class=\"reference\"><a href=\"#cite_note-:2-4\">[4]<\/a><\/sup>, are required to have processes in place for the management of these laboratory quality issues. In the ISO\/IEC 17025 standard, this requirement is detailed under section 7.10 \u201cNonconforming work,\u201d and the wording used is: \u201cThe laboratory shall have a procedure that shall be implemented when any aspect of its laboratory activities or results of this work do not conform to its own procedures or the agreed requirements of the customer.\u201d The instructions for how the nonconformity is to be actioned are provided later in the standard under section 8.7 \u201cCorrective actions\u201d and can be summarized as follows:\n<\/p>\n<ul><li>Take action to control the nonconformity and correct it;<\/li>\n<li>Take action to address the consequences of the nonconformity;<\/li>\n<li>Analyze the nonconformity to determine the root cause and, where necessary,;<\/li>\n<li>Take action to address the root cause to prevent reoccurrence of the nonconformity, and subsequently;<\/li>\n<li>Assess the effectiveness of the new control measures.<\/li><\/ul>\n<p>With many forensic service agencies operating QMSs compliant with standards such as ISO\/IEC 17025, a wealth of information on the types of issues detected in forensic processes is available, with the potential to be shared and collated for purposes including detecting trends, identifying opportunities for research and development, and facilitating interagency comparison and benchmarking.<sup id=\"rdp-ebb-cite_ref-:3_5-0\" class=\"reference\"><a href=\"#cite_note-:3-5\">[5]<\/a><\/sup>\n<\/p><p>However, there is limited published data on quality issues detected within forensic service provider agencies internationally. A fundamental concern for agencies with sharing this data publicly may be the risk of potential misuse or misunderstanding of the <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a>. This concern may be further compounded by the lack of standardization in how that information is collected between agencies and the terminology used, making the sharing of this information difficult.<sup id=\"rdp-ebb-cite_ref-:3_5-1\" class=\"reference\"><a href=\"#cite_note-:3-5\">[5]<\/a><\/sup> The implications of a lack of a standardized approach to quality issue investigation and management were highlighted in late 2022 by The Commission of Inquiry into Forensic DNA Testing in Queensland, particularly with regards to the perceived risk to transparency where a consistent approach is not apparent.<sup id=\"rdp-ebb-cite_ref-:4_6-0\" class=\"reference\"><a href=\"#cite_note-:4-6\">[6]<\/a><\/sup>\n<\/p><p>Recent changes to new statutory guidance documents in the UK and international accreditation requirements highlights that this lack of standardization presents a current and urgent challenge to the field. The UK Forensic Science Regulator Code of Practice (released March 2023 and coming into effect in October 2023) requires the forensic unit (defined within the Code as \u201ca legal entity or a defined part of a legal entity that performs any part of a forensic science activity\u201d) to inform the Regulator of non-conforming work or \u201cquality failures\u201d that have the potential to attract adverse public comment, be against the public interest, or lead to a miscarriage of justice.<sup id=\"rdp-ebb-cite_ref-:5_7-0\" class=\"reference\"><a href=\"#cite_note-:5-7\">[7]<\/a><\/sup> The American National Standards Institute - National Accreditation Board (ANAB) published AR 3125:2023 <i>Accreditation Requirements for Forensic Testing and Calibration Laboratories<\/i> in February 2023, with a new clause for proficiency testing requiring the laboratory to notify ANAB within 30 days when an expected result is not attained.<sup id=\"rdp-ebb-cite_ref-:6_8-0\" class=\"reference\"><a href=\"#cite_note-:6-8\">[8]<\/a><\/sup> Both of these documents go further than the ISO\/IEC 17025 standard in providing examples of the types of \u201cnon-conforming work\u201d or \u201cunexpected results\u201d that would compel reporting. However, the examples are not exhaustive in what might be seen in an operational forensic agency and thus are open to interpretation. The subjective application of requirements such as these invites risks, for example, the over-reporting of unwarranted issues may choke the resources of both the reporting agency and the regulator or accreditation body being reported to, preventing timely and effective carriage of justice and action on critical findings. Under-reporting of critical issues, even if done with no malicious intent, risks not only the perceived integrity of the forensic agency, but also the non-identification of systemic issues potentially threatening justice outcomes and public confidence in forensic science. The matter of mandatory reporting is complicated further by the fact that some quality issues only become apparent a considerable time later, whether being undetected at the time or not categorized as a quality issue at the time as technology or reporting thresholds evolve. For example, in the case of reanalysis of cold case DNA evidence collected many years prior, when testing methods were not sensitive enough to detect underlying contaminants<sup id=\"rdp-ebb-cite_ref-:7_9-0\" class=\"reference\"><a href=\"#cite_note-:7-9\">[9]<\/a><\/sup>, or where retrospective review of method validation studies identifies deficiencies in the analysis used to set analytical thresholds that have been in operation for a considerable time.<sup id=\"rdp-ebb-cite_ref-:4_6-1\" class=\"reference\"><a href=\"#cite_note-:4-6\">[6]<\/a><\/sup> Therefore, the sense of security that a system of mandatory reporting provides to current investigations or court matters may be false, as undetected and unreported issues will inevitably still exist even in the most willing and compliant of environments.\n<\/p><p>As the foundation to a program of research investigating quality issues in forensic science, a survey was designed and conducted on the current state of practice in forensic quality management and the management of quality issues amongst the government forensic service provider agencies of Australia and New Zealand. The objective of the survey was to gain perspective on the diversity of forensic services offered by these agencies and the quality structures surrounding them, along with insights into the current categorization, management, and disclosure of quality issues within those agencies. With the focus on transparent reporting of quality issues in forensic science now gaining momentum in international jurisdictions, the issue of effective communication on these issues is a clear and present concern to the field. This paper presents the results of this survey within the context of current practice in forensic quality management. Further we discuss these results and their significance in the environment of operational forensic science service provider agencies.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Survey_methodology_and_participant_demographics\">Survey methodology and participant demographics<\/span><\/h2>\n<p>The survey was designed and conducted using the online tool Qualtrics for ease of use and submission by participants.\n<\/p><p>The target participants for this survey were forensic quality practitioners or forensic practitioners involved in the management of quality issues working in the government forensic science service provider agencies of Australia and New Zealand. A request to approach suitable participants was made to ANZFEC via ANZPAA-NIFS. The agencies with representatives on the Quality Specialist Advisory Group (QSAG) of ANZPAA-NIFS were targeted. Permission was granted by all of the 15 agencies represented on QSAG to allow the research team to approach their staff. An invitation to potential participants was circulated to the QSAG members by ANZPAA-NIFS on behalf of the research team, and the invitation stated that it could also be forwarded to other suitable practitioners within the agency. Invitees who responded positively were forwarded a participant information sheet and participation consent form for return. Upon confirmation of consent, a unique alphanumeric identifier was assigned and forwarded to the participant along with a link to the online survey tool. The unique identifier was generated using online random number and letter generators and was to be used to ensure that each survey response was de-identified to anyone outside of the research team.\n<\/p><p>The participants were required to enter their unique identifier on the front page of the survey and to confirm consent before they were able to progress into the survey questions. Other than the unique identifier, no identifying information on the participants or the agency they represented was collected in the survey tool. The survey consisted of multiple sections, with certain questions only being displayed based on previous answers. The survey was designed to allow participants to return to previous questions and amend responses or pause and restart the survey at any time prior to final submission. The section designations in the survey are reflected in the headings presented in the results below.\n<\/p><p>Survey questions were designed as either requiring selection from a set of provided options (nominal scale), or as free text fields for unstructured data collection. All questions with options provided also included a space for additional free text comment to be made. All questions were set as forced response.\n<\/p><p>The full survey logic and functionality was pretested prior to deployment by volunteers outside of the research team with familiarity of the subject matter.\n<\/p><p>Uptake for the survey was successful with 16 participants from 13 of the 15 QSAG agencies responding. The participants represent all of the states and territories of Australia (including the federal jurisdiction), and New Zealand. All participants in the survey self-declared as being employed in a quality manager or quality practitioner role, with more than 85% of respondents indicating that their quality management role was responsible for multiple forensic science disciplines.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Survey_results_and_discussion\">Survey results and discussion<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Accreditation_of_disciplines\">Accreditation of disciplines<\/span><\/h3>\n<p>With accreditation of ANZFEC agencies being a mandated aim for the region<sup id=\"rdp-ebb-cite_ref-:0_1-2\" class=\"reference\"><a href=\"#cite_note-:0-1\">[1]<\/a><\/sup>, it is not surprising that all agencies represented by the survey participants are accredited to ISO\/IEC 17025. However, the responses presented in Fig. 1 show that, of the various forensic disciplines that are represented across the agencies surveyed, some are not accredited across all the agencies where that discipline is offered and, in a few cases, none of the agencies where the discipline is available are accredited for that service.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"3f4bc28f50d13791106c0e5570a7439d\"><img alt=\"Fig1 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e0\/Fig1_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> Accreditation status of forensic disciplines represented in survey participant agencies.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The survey responses with regards to the non-accreditation or partial accreditation of some disciplines may be indicative of the particular challenges associated with these areas. For example, in the case of anthropology and odontology, very few of the agencies surveyed were responsible for the provision of these services (three agencies and two agencies, respectively), and all are part of multidisciplinary forensic service agencies. The highly specialized nature of these fields, coupled with accreditation for these disciplines being under a different international standard (<a href=\"https:\/\/www.limswiki.org\/index.php\/ISO_15189\" title=\"ISO 15189\" class=\"wiki-link\" data-key=\"e7867fe884a6e63d87c5a1bff5c28bc2\">ISO 15189<\/a>) to the other disciplines within the same agencies (ISO\/IEC 17025) may be a consideration made for business decisions not to pursue accreditation. Entomology is a similarly rare field amongst the surveyed agencies, only offered by one. In the case of disciplines where there is a sole subject matter expert, the logistics of requirements such as technical peer review of results can be a barrier to accreditation in cases of limited staffing resources and may lend a preference to testing validity of the science and results as part of the court evidence process.<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup>\n<\/p><p>The field of electronic evidence deals in an environment of rapidly changing technology and evidence types. This presents other unique challenges from an accreditation perspective, for example, the swift adoption of new and novel analysis techniques may preclude lengthy validation studies or the ability to source appropriate and relevant proficiency testing programs.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> The field of facial identification (or facial image comparison) faces similar challenges to electronic evidence management, with the rapidly changing nature of image samples being presented and technology available to perform analysis. Further, the contrasting techniques of manual examiner comparison and automated facial recognition, along with the diversity of applications the techniques may be used for in different jurisdictions can make the development of standardized practice difficult, although expert scientific working groups are progressing this space.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Quality_issue_management\">Quality issue management<\/span><\/h3>\n<h4><span id=\"rdp-ebb-What_is_considered_a_\u201cquality_issue\u201d?\"><\/span><span class=\"mw-headline\" id=\"What_is_considered_a_.E2.80.9Cquality_issue.E2.80.9D.3F\">What is considered a \u201cquality issue\u201d?<\/span><\/h4>\n<p>Evidence of how the forensic facility identifies and mitigates risks to the quality of results and how it identifies and manages nonconforming work is an accreditation requirement, meaning that records must be kept and available. Whilst the standards are explicit in the necessity for these quality issues to be noted, managed, and recorded, the nature of what constitutes a \u201cquality issue\u201d worthy of recording is less clear.<sup id=\"rdp-ebb-cite_ref-:2_4-2\" class=\"reference\"><a href=\"#cite_note-:2-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:8_14-0\" class=\"reference\"><a href=\"#cite_note-:8-14\">[14]<\/a><\/sup>\n<\/p><p>All participants indicated that their agency has a documented process for the management of quality issues (including one which is a new document currently being drafted). Other than the one in draft, all participants also noted that the documented process included instructions for the logging\/recording of quality issues.\n<\/p><p>Participants were asked to indicate which types of issues would generally be considered as a \u201cquality issue\u201d that needed to be managed\/logged against a list of provided examples (Table 1).\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Survey responses to \u201cWhich of the following types of issues would generally be considered as a 'quality issue' to be managed\/logged?\u201d\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Description of issue\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Number of affirmative responses from 16 survey participants (%)\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Customer\/client complaints\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">16 (100%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">A documented procedure was not followed\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15 (94%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">A reported\/disclosed result requires correction\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15 (94%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Non-conformance identified at audit\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15 (94%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Results could have been invalidated\/delayed\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">14 (88%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Failure\/investigation of an external QAP\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">14 (88%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Results were invalidated\/unable to be reported\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13 (81%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Critical equipment failure\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13 (81%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The content of a disclosed report, other than the result, requires correction\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12 (75%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Customer\/client compliments\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12 (75%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Court testimony feedback\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12 (75%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Failure\/investigation of an internal QAP\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11 (69%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Recommendations identified at audit\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11 (69%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Customer\/client feedback (non-complaint or compliment)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9 (56%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Results were delayed\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8 (50%)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Non-critical equipment failure\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7 (44%)\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The responses across the participants demonstrate high agreement in some categories, with all participants managing\/logging customer complaints and 15 out of the 16 participants agreeing that adherence to documented procedures, correction of issued results, and non-conformances identified at audit were all considered \u201cquality issues\u201d requiring management\/logging. The single negative response for each of these categories was received from participants representing the same agency but responsible for different disciplines. One of these disciplines within the agency is not accredited to ISO\/IEC 17025, which may influence the response given.\n<\/p><p>Participant responses were split on whether delayed results (exceeding agreed reporting time to client) would be managed\/logged as \u201cquality issues.\u201d The issue of timely provision of results has been noted as an area of concern for the industry for some time, both in the risk of delays to the justice system<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> and as a risk to the provision of quality scientific services.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> Reasons for this divide in answers may be due to the nuances of individual agency client service level agreements (or equivalent arrangements) where there is either no agreed reporting times specified, or an accepted percentage of delayed reports allowed before it is considered a nonconformity. To analyze the root cause of this discrepancy between participants, this category will be explored further in future research stages.\n<\/p><p>Participants were provided with an opportunity to list any other types of issues, in their own words, that would generally be considered as quality issues for management\/logging. Comments were received from three participants, and included:\n<\/p><p><br \/>\n<\/p>\n<ul><li>\u201cRisk identified\u201d;<\/li>\n<li>\u201cPlanned deviation from process\u201d; and<\/li>\n<li>\u201cIssues relating to chain of custody, training, procedural errors or deficiencies, fieldwork or environmental conditions, facilities and software (upgrades, limitations, outages).\u201d<\/li><\/ul>\n<p>Those responses where limited detail was provided will be explored further in later phases of the research.\n<\/p>\n<h4><span id=\"rdp-ebb-How_are_\u201cquality_issues\u201d_recorded?\"><\/span><span class=\"mw-headline\" id=\"How_are_.E2.80.9Cquality_issues.E2.80.9D_recorded.3F\">How are \u201cquality issues\u201d recorded?<\/span><\/h4>\n<p>Much like the category of issues which require management\/logging, the specifics of how these issues are to be recorded is also undefined in the standard requirements. The predominant tool (or form) associated with QMSs prescribed by ISO\/IEC 17025 and ISO 9001<sup id=\"rdp-ebb-cite_ref-:8_14-1\" class=\"reference\"><a href=\"#cite_note-:8-14\">[14]<\/a><\/sup>, (along with other management systems, such as ISO 45001: Occupational health and safety management systems<sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup>) is the corrective action request (CAR). A CAR is a mechanism of documenting a problem or potential problem identified in the management system which requires that the root cause of the problem be mitigated or removed to prevent recurrence.<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup> Generally, the CAR process will also include documentation of the details of the investigation conducted to determine the root cause of the problem, actions taken to address the root cause, and evidence to demonstrate that the effectiveness of those actions has been reviewed and additional actions taken as required.\n<\/p><p>A root cause is the underlying issue that resulted in the non-conformance or issue. Root cause analysis (RCA) is the process used to identify the root cause of any issue.<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup> There are several approaches to conducting an RCA involving a variety of methods and tools.<sup id=\"rdp-ebb-cite_ref-:9_21-0\" class=\"reference\"><a href=\"#cite_note-:9-21\">[21]<\/a><\/sup> RCA can be considered a component of problem-solving, with the outcome providing information on the fundamental cause of an issue to be removed or mitigated to facilitate continuous improvement of the QMS.\n<\/p><p>CARs may be recognized by other names depending on the organization, for example, an \u201copportunity for improvement request\u201d or a \u201ccontinuous improvement request\u201d. However named, the process of having a mechanism for the documentation of issues detected (actual or potential) in the QMS and the actions taken to address these is a critical component of these systems and one of the most valuable tools in the continuous improvement cycle, if utilized effectively.<sup id=\"rdp-ebb-cite_ref-:9_21-1\" class=\"reference\"><a href=\"#cite_note-:9-21\">[21]<\/a><\/sup>\n<\/p><p>In the context of forensic science service provision, maintaining records of issues identified is not just a necessary feature of the QMS, but also crucial in demonstrating the robustness of the analysis process and subsequent results being provided.<sup id=\"rdp-ebb-cite_ref-:7_9-1\" class=\"reference\"><a href=\"#cite_note-:7-9\">[9]<\/a><\/sup> Transparency with regards to the analytical and interpretive process involves not only demonstrating the scientific validity of the methodology being used but also the clear and accurate communication of any limitations to be associated with the results provided, which includes the clear disclosure of issues that were identified during the process and how these may influence the validity of the results obtained.\n<\/p><p>As noted above, the specifics of what types of issues are recorded and how these issues are recorded is not defined in the guiding management system standards. All forensic service providers operating to one of the ISO standards will have some version of a CAR in their systems; however, this may not be used to record all issues detected, and alternative methods of documentation will be used either instead of, or in addition to, the CAR.\n<\/p><p>To better understand the various means used to record the types of quality issues identified in Table 1, survey participants who indicated that a particular issue would be logged were asked to indicate how each type of issue would be recorded within their agency. To accommodate types of issues which may be recorded in different ways dependent on the particular situation, participants were able to select multiple methods of recording for each issue type, as applicable. The responses were grouped into the following categories for the purposes of review and discussion: Reporting and delivery of results; Quality assurance programs; Equipment issues; Audits and documented procedures, and; Customer feedback and monitoring of court testimony.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Reporting_and_delivery_of_results\">Reporting and delivery of results<\/span><\/h4>\n<p>The provision of accurate, timely, and unambiguous results is a fundamental measure of the successful provision of forensic science services, and therefore issues that are identified which affect the delivery of those results require close attention.<sup id=\"rdp-ebb-cite_ref-:10_22-0\" class=\"reference\"><a href=\"#cite_note-:10-22\">[22]<\/a><\/sup> Issues related to the reporting and delivery of results were among the highest logged by participants in the survey (Table 1), with the highest proportion of participants indicating that issues where a reported or disclosed result required correction (15 out of 16) would be recorded. The next two highest recorded issues included scenarios where results were invalidated or unable to be reported (13 out of 16), and where results could have been invalidated or delayed (14 out of 16).\n<\/p><p>However, whilst all respondents logging these issues indicated that a root cause analysis would be performed in the case of invalid or unreportable results, only 72% indicated the same would be performed for results that could have been delayed (Fig. 2).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"ea128d0fabe32a2fbaea56d2a5bfa135\"><img alt=\"Fig2 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/0\/09\/Fig2_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> Methods of recording issues related to reporting and delivery of results that participants indicated may be used within their agency.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Although only half of participants indicated that actual delayed reporting of results was deemed as a quality issues requiring recording (Table 1), all of those participants who do record actual delays would document these as a CAR (or equivalent) and perform root cause analysis (Fig. 2).\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Quality_assurance_programs\">Quality assurance programs<\/span><\/h4>\n<p>Quality assurance programs (QAPs) are used by forensic science agencies to test the systems and processes in place.<sup id=\"rdp-ebb-cite_ref-:10_22-1\" class=\"reference\"><a href=\"#cite_note-:10-22\">[22]<\/a><\/sup> The nature of QAPs can vary greatly and will be dependent on the nature of the services being provided. QAPs can be both internal (programs developed in-house to monitor system capability and competency such as testing of samples where ground truth is known by the program administrator or monitoring of contamination minimization processes through environmental samples) or external (programs sourced externally such as commercial proficiency testing programs or inter-laboratory comparison exercises). When used effectively, QAPs assist the agency to identify vulnerabilities in the quality system and are a valuable tool in the proactive identification of risks to the quality of results. Just as importantly, QAPs can highlight successes in the quality system and provide tangible evidence of the robustness of the procedures in place to protect the agency's quality of output.\n<\/p><p>Where the results of QAPs indicate a possible failure or risk in the system this may be deemed a quality issue for investigation, and in the case of external QAPs, 14 of the 16 respondents indicated this would be recorded. By comparison, only 11 respondents would log the same for an internal QAP (Table 1). All of those who would log these issues indicated that they may involve root cause analysis in the management of the issue (Fig. 3).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"9c791fb109c88644f416b911b9a380d9\"><img alt=\"Fig3 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8a\/Fig3_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 3.<\/b> Methods of recording issues related to Quality Assurance Programs (QAPs) that participants indicated may be used within their agency.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span class=\"mw-headline\" id=\"Audits_and_documented_procedures\">Audits and documented procedures<\/span><\/h4>\n<p>Audits are a flagship component of any QMS as a means of monitoring the compliance of the agency's system against the standard it has been designed to meet, as well as how that system aligns with the actual processes and procedures being performed within the agency.<sup id=\"rdp-ebb-cite_ref-:10_22-2\" class=\"reference\"><a href=\"#cite_note-:10-22\">[22]<\/a><\/sup> A robust forensic science audit program will include review of both the competence of the QMS and processes, as well as technical (scientific) competence. Where the actual practice does not conform with the required (or documented) practice, a non-conformance will be noted by the auditor to be investigated and addressed by the auditee.\n<\/p><p>Supporting the QMS is the requirement for the agency to document the system, including the processes and procedures used, as part evidence of its compliance with the guiding standard.<sup id=\"rdp-ebb-cite_ref-:2_4-3\" class=\"reference\"><a href=\"#cite_note-:2-4\">[4]<\/a><\/sup> It is therefore the expectation that actual practice will be performed in accordance with the documented practice. Misalignment of these two factors can be indicative of risks to quality outputs, introducing the potential for inconsistent application of processes, or procedures which are outside the scope of required standards. Fifteen out of 16 survey respondents indicated that they would log both non-conformances identified at audit and where a documented procedure was not followed as quality issues (Table 1), and over 90% of those indicated that the investigation may include a root cause analysis (Fig. 4). This high level of recording and investigative analysis of issues related to audit findings and documented procedures suggests that surveyed agencies place great significance of these types of issues as a symptom of risk to quality.\n<\/p><p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig4_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"2f601af01683712959c76e2ba1f0c898\"><img alt=\"Fig4 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/1a\/Fig4_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 4.<\/b> Methods of recording issues related to audits and documented procedures that participants indicated may be used within their agency.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span class=\"mw-headline\" id=\"Equipment_issues\">Equipment issues<\/span><\/h4>\n<p>Equipment involved in the provision of forensic science services can be loosely grouped into the categories of \"critical\" and \"non-critical.\" The distinction between the two being the degree to which the failure of the equipment impacts on the validity of results. For example, a genetic analyzer used to perform DNA analysis is critical to the DNA testing process, whereas the flask used to measure a general cleaning reagent for dilution is non-critical.\n<\/p><p>Equipment which has an effect on the validity of results must be considered with regards to its selection, implementation, performance monitoring, and ongoing maintenance.<sup id=\"rdp-ebb-cite_ref-:2_4-4\" class=\"reference\"><a href=\"#cite_note-:2-4\">[4]<\/a><\/sup> However, dependent on the criticality of the piece of equipment, the procedures required to assure this may vary. In the survey, participants were asked to consider whether equipment failure would be considered a quality issue and whether the distinction of critical versus non-critical became a factor. Thirteen out of 16 participants would record a critical equipment failure, whilst only seven would record failure of non-critical equipment (Table 1). Of those, 100% would consider logging the critical failures as a CAR with a root cause analysis, whist non-critical equipment failures are more likely to be managed without root cause analysis (Fig. 5).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig5_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"1c381bf51e92e8ec1799eb0ff2bda6a0\"><img alt=\"Fig5 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/29\/Fig5_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 5.<\/b> Methods of recording issues related to equipment that participants indicated may be used within their agency.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>This demonstrates the perceived distinction between critical and non-critical with regards to equipment used in the forensic process and the impact it has on the provision of a quality service. In this survey, the terms \"critical\" and \"non-critical\" were not defined for the participants, therefore the responses received will be subjective dependent on the understanding of these terms. How these terms are defined and designated for the purposes of managing quality issues will be explored in future studies.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Customer_feedback_and_monitoring_of_court_testimony\">Customer feedback and monitoring of court testimony<\/span><\/h4>\n<p>For any service-based business, a strong knowledge of customer needs and expectations is crucial to designing fit-for-purpose service delivery strategies. Seeking regular and varied customer feedback to measure how the service aligns with those expectations is a standard feature of such models.<sup id=\"rdp-ebb-cite_ref-:8_14-2\" class=\"reference\"><a href=\"#cite_note-:8-14\">[14]<\/a><\/sup> In that respect, forensic science service provision is a complex beast. In Australia and New Zealand, the majority of forensic science services are operated by government agencies to provide for the jurisdictions they represent, so when it comes to \u201cseeking customer feedback,\u201d who do we define as the customer? For the purposes of this standard requirement, the baseline used by most agencies will be those individuals or institutions who have a direct liaison with the outputs of the agency, for example the investigators who submit the exhibits for testing or the legal counsel who receive the reports for trial and call the analysts as expert witnesses. Other sources of external feedback may also be incorporated, such as independent reviews of the service provider or feedback related to the forensic service in the form of legal judgement transcripts.\n<\/p><p>\u201cCustomer feedback\u201d for the purposes of this survey was categorized as either complaints or compliments\/feedback (non-complaint or compliment). \u201cCustomer complaints\u201d was the only type of quality issue surveyed which was noted as being logged by 100% of participants (Table 1), with almost all respondents indicating that root cause analysis would be considered in the event of a complaint (Fig. 6). The use of CARs as a logging tool across all types of customer feedback was much lower than amongst other types of issues, and a higher proportion of respondents indicated that other methods of logging customer feedback (inclusive of complaints, compliments and feedback) would be used, generally being some form of customer feedback database.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig6_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"9567727cf415dc5ca01088d39ec426d2\"><img alt=\"Fig6 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/f\/f7\/Fig6_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 6.<\/b> Methods of recording issues related to customer feedback that participants indicated may be used within their agency.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The role of the forensic scientist as expert witness is often the ultimate conclusion in the forensic service process, and one which is responsible for translating analytical methodologies and the significance of the results into a public forum to be evaluated in the context of an adversarial legal system (in Australia and New Zealand). Thus, the monitoring of forensic expert court testimony plays an important part in quality assurance of the forensic process. Although court testimony monitoring is a requirement for forensic facilities accredited to ISO\/IEC 17025, how this is to be managed is not specified.<sup id=\"rdp-ebb-cite_ref-:6_8-1\" class=\"reference\"><a href=\"#cite_note-:6-8\">[8]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup> Individual agency procedures may account for the few participants who did not indicate that \u201cCourt testimony feedback\u201d would be logged as a quality issue. How this feedback is captured and managed will be investigated further in subsequent stages of this project.\n<\/p>\n<h4><span id=\"rdp-ebb-Recording_of_"near_miss"_events\"><\/span><span class=\"mw-headline\" id=\"Recording_of_.22near_miss.22_events\">Recording of \"near miss\" events<\/span><\/h4>\n<p>A number of the issues participants were asked to respond to may be considered as indicative of a potential issue in the quality system that requires action, but not a scenario where an actual non-conformance has occurred. These types of events may be referred to as \u201cnear miss\u201d events. The results of the survey indicated that the proportion of participants who would consider logging \u201cnear miss\u201d events as quality issues is notably lower than for events where a non-conformance has occurred (Fig. 7).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig7_Heavey_ForSciIntSyn2023_7.jpg\" class=\"image wiki-link\" data-key=\"fe6beae75f1f0dc92551a69e878d5ab2\"><img alt=\"Fig7 Heavey ForSciIntSyn2023 7.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/af\/Fig7_Heavey_ForSciIntSyn2023_7.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 7.<\/b> Type of quality issue grouped by whether non-conformance has occurred, or is indicative of potential issue (\u201cnear miss\u201d), and percentage of participants who would log this as a \u201cquality issue.\u201d<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The lists in Fig. 7 were also compared with the corresponding data for each issue on whether root cause analysis may be used in the investigation from Fig. 2, Fig. 3, Fig. 4, Fig. 5, and Fig. 6. For the events where a non-conformance has occurred, the combined average of responses indicating that root cause analysis may be used across all events listed was 92%, whereas the average for the listed \u201cnear miss\u201d events was only 74%.\n<\/p><p>The differences in the rates of recording and level of investigation used for \u201cnear miss\u201d events compared with other quality issues highlights an important area for consideration with regards to quality issue management in forensics. Whilst there can be limited arguments against the importance of the identification, analysis, and correction of actual non-conformances within the QMS, a core feature of robust quality management is the design of systems to identify risks to quality so that they can be proactively strengthened to prevent non-conformances from even occurring in the first place.<sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup> This is where the identification of \u201cnear miss\u201d events becomes critical to inform continuous, preventive improvement of the quality system, and consideration should be given to applying root cause analysis at this stage in order to determine the most effective means of preventing issues from occurring. Failing to log and action near-miss events will likely lead to an increase in actual non-conformances, some of which could have been prevented from occurring.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Terminology\">Terminology<\/span><\/h3>\n<p>Inconsistent definitions of terminology related to \u201cerror\u201d and associated issues in forensic science have been noted as a key challenge to the transparent communication on this topic not just with end users of forensic information and the public, but also between forensic agencies themselves.<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup> Only two participants in this survey indicated that their agency has a documented glossary of terms related to quality issues, with a further seven respondents indicating that \u201csome\u201d terms are defined within relevant standard operating procedures as appropriate.\n<\/p><p>All respondents were asked to define (based on their own knowledge and expertise) a number of terms commonly associated with quality issues, with selected results for some of the terms surveyed presented in Table 2.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Selected survey participant definitions of terms commonly associated with quality issues in forensic science.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Term\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Selected participant definitions provided\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Non-conformance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u201cDeparture from an approved procedure, standard or regulatory requirement. Can also include non-conforming results where a quality check (blank, known standard) has not passed acceptance criteria.\u201d - Participant 10<br \/> <br \/>\u201cA failure to meet or not adhering to a requirement in the standard against which the facility is accredited - e.g. not performing a procedure as per the facility's documented standard operating procedure.\u201d - Participant 13<br \/> <br \/>\u201cNon-compliance with a standard, unexpected result, issue that has or potential to have impact on quality of work.\u201d - Participant 8<br \/> <br \/>\u201cSomething deviating from process or procedures in the quality management system.\u201d - Participant 5<br \/> <br \/>\u201cA failure to meet requirements set out in the Quality Manual, procedures\/methods, AS ISO\/IEC 17025 or other regulating bodies.\u201d - Participant 15\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Contamination\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u201cThe presence of an artefact that was not part of the original item.\u201d - Participant 1<br \/> <br \/>\u201cWhen another variable has been introduced to a sample or test, reducing the confidence of the test as being a 'true' result.'\u201d - Participant 10<br \/> <br \/>\u201cAs a more general definition, contamination would be the unintentional or undesired introduction of material that is exogenous to the exhibit\/subsample after the point it is contained\/bought into control\/custody.\u201d - Participant 13<br \/> <br \/>\u201cWhere an artefact has impacted on a result.\u201d - Participant 16<br \/> <br \/>\u201cThe presence of an unexpected or unintended agent (e.g., biological, chemical), foreign material (e.g., trace) or substance (e.g., drug) that has the potential to negatively impact results.\u201d - Participant 14\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Error\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u201cData that has been reported on incorrectly.\u201d - Participant 6<br \/> <br \/>\u201cA mistake in the work being carried out. Mostly referring to human as the cause - but could be instrument related.\u201d - Participant 5<br \/> <br \/>\u201cWhen a mistake has been made due to not following procedures or factors that could influence results have not been detected.\u201d - Participant 10<br \/> <br \/>\u201cSomething demonstrably inaccurate e.g., wrong number, units, result, name, date, time or documented procedure not followed.\u201d - Participant 2<br \/> <br \/>\u201cDifference between the result obtained with the correct or expected result.\u201d - Participant 9<br \/> <br \/>\u201cA mistake or accident - related to accuracy.\u201d - Participant 15<br \/> <br \/>\u201cThere is no consistency to the term error. It could mean where there is an incorrect result, a problem with documentation or an issue with an instrument or computer.\u201d - Participant 16\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Consistency in the definitions provided for some terms was high between participants (see \u201cnon-conformance\u201d), whereas others indicated a range of rationales behind understandings of the terms. In particular, the definitions of \u201cerror\u201d provided by participants demonstrate a breadth of potential meanings for the term, with one participant even noting that \u201cthis term is not used by our organization or categorized under our notification (non-conformance) system.\u201d\n<\/p><p>Differences in key quality management terminology, including commonly used terms such as \u201cerror,\u201d are apparent in the survey results, highlighting the difficulties that may arise in being able to compare quality issue data between agencies to identify trends at an inter-jurisdictional level. In the context of recently released mandatory reporting requirements on quality issues from the UK Forensic Regulator and ANAB<sup id=\"rdp-ebb-cite_ref-:5_7-1\" class=\"reference\"><a href=\"#cite_note-:5-7\">[7]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:6_8-2\" class=\"reference\"><a href=\"#cite_note-:6-8\">[8]<\/a><\/sup>, these differences in language used have the potential to influence inconsistent reporting, even inadvertently, which may have implications for the agency with regards to conclusions made from data based on the rate of reported quality issue types.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Disclosure_of_quality_issues\">Disclosure of quality issues<\/span><\/h3>\n<p>All participants indicated that records of quality issues are disclosed to external recipients; however, less than half indicated that these would be disclosed at the same time as case results. The remaining responses indicated that such records are disclosed upon request. Some participants noted that contributing factors as to whether such records are disclosed include whether the quality issue affects the item being reported, whether it is being requested under the Freedom of Information Act or court order, or where the decision is at the discretion of the reporting analyst.\n<\/p><p>Inconsistent approaches to disclosure may be overcome by mandatory reporting frameworks, such as the Code of Practice issued by the UK Forensic Science Regulator.<sup id=\"rdp-ebb-cite_ref-:5_7-2\" class=\"reference\"><a href=\"#cite_note-:5-7\">[7]<\/a><\/sup> Frameworks such as these are designed with the aim of enhancing transparency and oversight of risks to quality, the value of which cannot be argued. However, unless the underlying systems to ensure that the integrity and consistency of the reporting are sufficiently standardized, there will always be a risk of unnecessary over-reporting or inadvertent under-reporting of issues, both having outcomes which undermine the just intent of the measures. In addition, it is inevitable that certain issues may not be detected and reported until after legal proceedings are complete or may only become apparent as an issue as the sensitivity of testing methodologies increases over time. Mandatory reporting frameworks will have associated expectations and, potentially, public expectations as to their effectiveness in assuring safety and transparency. Delayed reporting of issues may be viewed adversely against those expectations if not managed and communicated effectively, and this should be considered by the forensic community.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions\">Conclusions<\/span><\/h2>\n<p>Within the context of the Australian and New Zealand forensic community, the results of this survey demonstrate how the commitment to accreditation has resulted in considerable consistency in the QMSs in place within agencies. This consistency also translates to how several types of quality issues detected within those systems would be recorded, investigated, and managed, with RCA being applied for the majority of non-conformances identified. However, the survey results also demonstrate that this level of analysis is less consistently applied for events that could be indicators of an underlying quality issue, or a \u201cnear miss.\u201d ISO\/IEC 17025 requirements provide limited definition of the criteria by which a laboratory determines the significance of a nonconformity, which requires action and subsequent analysis to determine the root cause and, therefore, for compliance the laboratory must make its own determinations on the significance of issues. This can lead to \u201cnear miss\u201d events not being recorded in the same manner as observed non-conformances and, more significantly, not being investigated with the same level of scrutiny to determine the root cause. This appears to be at odds with the risk-based and proactive intent of modern QMSs and highlights an opportunity for all forensic agencies and networks to advocate practice beyond just compliance to enhance their continuous improvement programs through the thorough and rigorous identification and analysis of \u201cnear miss\u201d events.\n<\/p><p>Further, it is important to note that the management of quality issues for the improvement of systems is not just about the detection of adverse, negative events. \u201cNear miss\u201d events\u2014such as where results may have been invalidated or where an internal QAP picked up an issue in the system before it affected results, although they may be considered \u201cquality issues\u201d\u2014are positive indicators that the QMS is working effectively by proactive identification of risks, which can be investigated and actioned to prevent reoccurrence. Additional positive system indicators may come in the form of customer compliments or positive feedback on court testimony. Combining the data from the analysis of positive indicators alongside the cause analysis of adverse events provides the agency with a deeper understanding of the root causes identified and, therefore, has the potential to inform more meaningful and effective corrective action to eliminate risks.\n<\/p><p>This foundational study supports the need for further research into the development of standardized systems of critical issue classification, management and disclosure in forensic science, as highlighted by the increased international demand for mandatory reporting and transparency.<sup id=\"rdp-ebb-cite_ref-:4_6-2\" class=\"reference\"><a href=\"#cite_note-:4-6\">[6]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_7-3\" class=\"reference\"><a href=\"#cite_note-:5-7\">[7]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:6_8-3\" class=\"reference\"><a href=\"#cite_note-:6-8\">[8]<\/a><\/sup> Although the Australian and New Zealand forensic service provision community may be small when considered against international counterparts, the size and isolation of this community has enabled an enviable level of control and oversight across all its jurisdictions for an extended period. Since the creation of the National Institute of Forensic Science in 1992 and subsequent development of governance structures from both policing and scientific branches of forensic investigation, the progression of standardized practice in forensic science across Australia and New Zealand has moved largely by consensus, led by the government agencies that provide the majority of forensic services. This highly effective and active governance network also places Australia and New Zealand in a unique position to make holistic change to forensic science service provision policy across the entire region to assure equitable access to high-quality, contemporary forensic services.\n<\/p><p>Through further investigations involving the Australian and New Zealand forensic science community, along with examination of international jurisdictions and approaches to critical issue management and analysis from other high-risk fields, this ongoing research aims to develop an evidence-based standard terminology for quality issues in forensic science to support data sharing and reporting, enhance understanding of quality issues, and promote transparency in forensic science. A common language forms the basis for a taxonomic system for the categorization of critical issues to support the consistent and effective communication of quality issues, whether through mandatory reporting obligations, effective delivery of forensic information in investigations or as evidence, or to enhance public understandings of forensic science and the significance of \u201cerror\u201d in the pursuit of open and reliable forensic science services to support justice outcomes.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The authors wish to thank the survey participants for their responses and generosity of time. We would also like to acknowledge the involvement and support of ANZFEC for the approval to conduct this survey, and ANZPAA-NIFS for their assistance in approaching ANZFEC and disseminating the invitation to participate. Thanks also to Dr. Matthew Thompson and the members of the Perceptual Expertise Advanced Research Lab at Murdoch University for their advice on survey research and design. Portions of this manuscript were presented at the 25th International Symposium of the Australia New Zealand Forensic Science Society held in Brisbane, Australia, 11 - 15 September 2022. This study has been approved by the Curtin University Human Research Ethics Committee (approval number HRE2021-0252).\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<ul><li>Anna Heavey \u2013 Conceptualization, Methodology, Formal analysis, Visualization, Investigation, Writing \u2013 Original Draft, Writing \u2013 Review & Editing.<\/li>\n<li>Gavin Turbett - Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision.<\/li>\n<li>Max Houck \u2013 Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision.<\/li>\n<li>Simon Lewis - Conceptualization, Methodology, Writing \u2013 Review & Editing, Supervision, Project administration.<\/li><\/ul>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>The authors declare the following financial interests\/personal relationships which may be considered as potential competing interests: At the time of the survey being conducted, Anna Heavey was Chair of the Quality Specialist Advisory Group,3. and Dr. Gavin Turbett was Chair of the Australia New Zealand Forensic Executive Committee. As an Editorial Board Member of Forensic Science International: Synergy, Professor Simon Lewis had no involvement in the peer review of this manuscript. Dr. Max Houck, the Editor in Chief of Forensic Science International: Synergy, is a member of the first author's doctoral committee. He has had input on early drafts of this manuscript prior to selecting a journal for publication. A Senior Editor has handled the administration and peer review process for the manuscript, and Dr. Houck has had no input on the processing of the manuscript except as co-author.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-:0-1\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_1-0\">1.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-1\">1.1<\/a><\/sup> <sup><a href=\"#cite_ref-:0_1-2\">1.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ross, Alastair; Neuteboom, Wim (4 May 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2019.1704058\" target=\"_blank\">\"Implementation of quality management from a historical perspective:the forensic science odyssey\"<\/a> (in en). <i>Australian Journal of Forensic Sciences<\/i> <b>53<\/b> (3): 359\u2013371. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1080%2F00450618.2019.1704058\" target=\"_blank\">10.1080\/00450618.2019.1704058<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0045-0618\" target=\"_blank\">0045-0618<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2019.1704058\" target=\"_blank\">https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2019.1704058<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Implementation+of+quality+management+from+a+historical+perspective%3Athe+forensic+science+odyssey&rft.jtitle=Australian+Journal+of+Forensic+Sciences&rft.aulast=Ross&rft.aufirst=Alastair&rft.au=Ross%2C%26%2332%3BAlastair&rft.au=Neuteboom%2C%26%2332%3BWim&rft.date=4+May+2021&rft.volume=53&rft.issue=3&rft.pages=359%E2%80%93371&rft_id=info:doi\/10.1080%2F00450618.2019.1704058&rft.issn=0045-0618&rft_id=https%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.1080%2F00450618.2019.1704058&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-2\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_2-0\">2.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_2-1\">2.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wilson-Wilde, L. (2021). <a rel=\"nofollow\" class=\"external text\" href=\"#v33\">\"The State of Forensic Science in Australia and New Zealand\"<\/a>. <i>Forensic Science Review<\/i> <b>33<\/b> (1): 2\u20136. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1042-7201\" target=\"_blank\">1042-7201<\/a><span class=\"printonly\">. <a rel=\"nofollow\" class=\"external free\" href=\"#v33\">http:\/\/forensicsciencereview.com\/content.htm#v33<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+State+of+Forensic+Science+in+Australia+and+New+Zealand&rft.jtitle=Forensic+Science+Review&rft.aulast=Wilson-Wilde%2C+L.&rft.au=Wilson-Wilde%2C+L.&rft.date=2021&rft.volume=33&rft.issue=1&rft.pages=2%E2%80%936&rft.issn=1042-7201&rft_id=http%3A%2F%2Fforensicsciencereview.com%2Fcontent.htm%23v33&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-3\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-3\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wilson-Wilde, Linzi (2 January 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2016.1253773\" target=\"_blank\">\"The future of the National Institute of Forensic Science \u2013 implications for Australia and New Zealand\"<\/a> (in en). <i>Australian Journal of Forensic Sciences<\/i> <b>49<\/b> (1): 1\u20138. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1080%2F00450618.2016.1253773\" target=\"_blank\">10.1080\/00450618.2016.1253773<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0045-0618\" target=\"_blank\">0045-0618<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2016.1253773\" target=\"_blank\">https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00450618.2016.1253773<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+future+of+the+National+Institute+of+Forensic+Science+%E2%80%93+implications+for+Australia+and+New+Zealand&rft.jtitle=Australian+Journal+of+Forensic+Sciences&rft.aulast=Wilson-Wilde&rft.aufirst=Linzi&rft.au=Wilson-Wilde%2C%26%2332%3BLinzi&rft.date=2+January+2017&rft.volume=49&rft.issue=1&rft.pages=1%E2%80%938&rft_id=info:doi\/10.1080%2F00450618.2016.1253773&rft.issn=0045-0618&rft_id=https%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.1080%2F00450618.2016.1253773&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-4\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_4-0\">4.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_4-1\">4.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_4-2\">4.2<\/a><\/sup> <sup><a href=\"#cite_ref-:2_4-3\">4.3<\/a><\/sup> <sup><a href=\"#cite_ref-:2_4-4\">4.4<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.iso.org\/standard\/66912.html\" target=\"_blank\">\"ISO\/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories\"<\/a>. International Organization for Standardization. March 2018<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.iso.org\/standard\/66912.html\" target=\"_blank\">https:\/\/www.iso.org\/standard\/66912.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=ISO%2FIEC+17025%3A2017+General+requirements+for+the+competence+of+testing+and+calibration+laboratories&rft.atitle=&rft.date=March+2018&rft.pub=International+Organization+for+Standardization&rft_id=https%3A%2F%2Fwww.iso.org%2Fstandard%2F66912.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-5\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_5-0\">5.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_5-1\">5.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Heavey, Anna L.; Turbett, Gavin R.; Houck, Max M.; Lewis, Simon W. (1 July 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wfs2.1452\" target=\"_blank\">\"Toward a common language for quality issues in forensic science\"<\/a> (in en). <i>WIREs Forensic Science<\/i> <b>4<\/b> (4): e1452. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fwfs2.1452\" target=\"_blank\">10.1002\/wfs2.1452<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2573-9468\" target=\"_blank\">2573-9468<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wfs2.1452\" target=\"_blank\">https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wfs2.1452<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Toward+a+common+language+for+quality+issues+in+forensic+science&rft.jtitle=WIREs+Forensic+Science&rft.aulast=Heavey&rft.aufirst=Anna+L.&rft.au=Heavey%2C%26%2332%3BAnna+L.&rft.au=Turbett%2C%26%2332%3BGavin+R.&rft.au=Houck%2C%26%2332%3BMax+M.&rft.au=Lewis%2C%26%2332%3BSimon+W.&rft.date=1+July+2022&rft.volume=4&rft.issue=4&rft.pages=e1452&rft_id=info:doi\/10.1002%2Fwfs2.1452&rft.issn=2573-9468&rft_id=https%3A%2F%2Fwires.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fwfs2.1452&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-6\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_6-0\">6.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_6-1\">6.1<\/a><\/sup> <sup><a href=\"#cite_ref-:4_6-2\">6.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Sofronoff, W. (13 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.health.qld.gov.au\/__data\/assets\/pdf_file\/0036\/1196685\/final-report-coi-dna-testing-qld-dec-2022.pdf\" target=\"_blank\">\"Final Report: Commission of Inquiry into Forensic DNA testing in Queensland\"<\/a> (PDF)<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.health.qld.gov.au\/__data\/assets\/pdf_file\/0036\/1196685\/final-report-coi-dna-testing-qld-dec-2022.pdf\" target=\"_blank\">https:\/\/www.health.qld.gov.au\/__data\/assets\/pdf_file\/0036\/1196685\/final-report-coi-dna-testing-qld-dec-2022.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Final+Report%3A+Commission+of+Inquiry+into+Forensic+DNA+testing+in+Queensland&rft.atitle=&rft.aulast=Sofronoff%2C+W.&rft.au=Sofronoff%2C+W.&rft.date=13+December+2022&rft_id=https%3A%2F%2Fwww.health.qld.gov.au%2F__data%2Fassets%2Fpdf_file%2F0036%2F1196685%2Ffinal-report-coi-dna-testing-qld-dec-2022.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-7\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_7-0\">7.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_7-1\">7.1<\/a><\/sup> <sup><a href=\"#cite_ref-:5_7-2\">7.2<\/a><\/sup> <sup><a href=\"#cite_ref-:5_7-3\">7.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Forensic Science Regulator (March 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/assets.publishing.service.gov.uk\/government\/uploads\/system\/uploads\/attachment_data\/file\/1178250\/FINAL_2023.1.18_Code_of_Practice.pdf\" target=\"_blank\">\"Code of Practice\"<\/a> (PDF)<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/assets.publishing.service.gov.uk\/government\/uploads\/system\/uploads\/attachment_data\/file\/1178250\/FINAL_2023.1.18_Code_of_Practice.pdf\" target=\"_blank\">https:\/\/assets.publishing.service.gov.uk\/government\/uploads\/system\/uploads\/attachment_data\/file\/1178250\/FINAL_2023.1.18_Code_of_Practice.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Code+of+Practice&rft.atitle=&rft.aulast=Forensic+Science+Regulator&rft.au=Forensic+Science+Regulator&rft.date=March+2023&rft_id=https%3A%2F%2Fassets.publishing.service.gov.uk%2Fgovernment%2Fuploads%2Fsystem%2Fuploads%2Fattachment_data%2Ffile%2F1178250%2FFINAL_2023.1.18_Code_of_Practice.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-8\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_8-0\">8.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_8-1\">8.1<\/a><\/sup> <sup><a href=\"#cite_ref-:6_8-2\">8.2<\/a><\/sup> <sup><a href=\"#cite_ref-:6_8-3\">8.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/anab.qualtraxcloud.com\/ShowDocument.aspx?ID=12371\" target=\"_blank\">\"Accreditation Requirements for Forensic Testing and Calibration (2023)\"<\/a> (PDF). ANSI National Accreditation Board. 1 February 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/anab.qualtraxcloud.com\/ShowDocument.aspx?ID=12371\" target=\"_blank\">https:\/\/anab.qualtraxcloud.com\/ShowDocument.aspx?ID=12371<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Accreditation+Requirements+for+Forensic+Testing+and+Calibration+%282023%29&rft.atitle=&rft.date=1+February+2023&rft.pub=ANSI+National+Accreditation+Board&rft_id=https%3A%2F%2Fanab.qualtraxcloud.com%2FShowDocument.aspx%3FID%3D12371&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-9\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_9-0\">9.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_9-1\">9.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ecourts.justice.wa.gov.au\/eCourtsPortal\/Decisions\/DownloadDecision?id=9582e4ba-91ec-4119-998b-269447363aed\" target=\"_blank\">\"The State of Western Australia vs Edwards [No 7<\/a> [2020] WASC 339\"] (PDF). State of Western Australia<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ecourts.justice.wa.gov.au\/eCourtsPortal\/Decisions\/DownloadDecision?id=9582e4ba-91ec-4119-998b-269447363aed\" target=\"_blank\">https:\/\/ecourts.justice.wa.gov.au\/eCourtsPortal\/Decisions\/DownloadDecision?id=9582e4ba-91ec-4119-998b-269447363aed<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=The+State+of+Western+Australia+vs+Edwards+%5BNo+7%5D+%5B2020%5D+WASC+339&rft.atitle=&rft.pub=State+of+Western+Australia&rft_id=https%3A%2F%2Fecourts.justice.wa.gov.au%2FeCourtsPortal%2FDecisions%2FDownloadDecision%3Fid%3D9582e4ba-91ec-4119-998b-269447363aed&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McCartney, Carole; Nsiah Amoako, Emmanuel (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1752928X19300253\" target=\"_blank\">\"Accreditation of forensic science service providers\"<\/a> (in en). <i>Journal of Forensic and Legal Medicine<\/i> <b>65<\/b>: 143\u2013145. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jflm.2019.04.004\" target=\"_blank\">10.1016\/j.jflm.2019.04.004<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1752928X19300253\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1752928X19300253<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accreditation+of+forensic+science+service+providers&rft.jtitle=Journal+of+Forensic+and+Legal+Medicine&rft.aulast=McCartney&rft.aufirst=Carole&rft.au=McCartney%2C%26%2332%3BCarole&rft.au=Nsiah+Amoako%2C%26%2332%3BEmmanuel&rft.date=1+July+2019&rft.volume=65&rft.pages=143%E2%80%93145&rft_id=info:doi\/10.1016%2Fj.jflm.2019.04.004&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1752928X19300253&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sommer, Peter (1 June 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1742287618301701\" target=\"_blank\">\"Accrediting digital forensics: What are the choices?\"<\/a> (in en). <i>Digital Investigation<\/i> <b>25<\/b>: 116\u2013120. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.diin.2018.04.004\" target=\"_blank\">10.1016\/j.diin.2018.04.004<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1742287618301701\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1742287618301701<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accrediting+digital+forensics%3A+What+are+the+choices%3F&rft.jtitle=Digital+Investigation&rft.aulast=Sommer&rft.aufirst=Peter&rft.au=Sommer%2C%26%2332%3BPeter&rft.date=1+June+2018&rft.volume=25&rft.pages=116%E2%80%93120&rft_id=info:doi\/10.1016%2Fj.diin.2018.04.004&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1742287618301701&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/enfsi.eu\/wp-content\/uploads\/2017\/06\/ENFSI-BPM-DI-01.pdf\" target=\"_blank\">\"Best Practice Manual for Facial Image Comparison ENFSI-BPM-DI-01\"<\/a> (PDF). European Network of Forensic Science Institutes. January 2018<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/enfsi.eu\/wp-content\/uploads\/2017\/06\/ENFSI-BPM-DI-01.pdf\" target=\"_blank\">https:\/\/enfsi.eu\/wp-content\/uploads\/2017\/06\/ENFSI-BPM-DI-01.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Best+Practice+Manual+for+Facial+Image+Comparison+ENFSI-BPM-DI-01&rft.atitle=&rft.date=January+2018&rft.pub=European+Network+of+Forensic+Science+Institutes&rft_id=https%3A%2F%2Fenfsi.eu%2Fwp-content%2Fuploads%2F2017%2F06%2FENFSI-BPM-DI-01.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.fiswg.org\/index.html\" target=\"_blank\">\"Facial Identification Scientific Working Group\"<\/a>. Facial Identification Scientific Working Group. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.fiswg.org\/index.html\" target=\"_blank\">http:\/\/www.fiswg.org\/index.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Facial+Identification+Scientific+Working+Group&rft.atitle=&rft.date=2022&rft.pub=Facial+Identification+Scientific+Working+Group&rft_id=http%3A%2F%2Fwww.fiswg.org%2Findex.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:8-14\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:8_14-0\">14.0<\/a><\/sup> <sup><a href=\"#cite_ref-:8_14-1\">14.1<\/a><\/sup> <sup><a href=\"#cite_ref-:8_14-2\">14.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.iso.org\/standard\/62085.html\" target=\"_blank\">\"ISO 9001:2015 Quality management systems \u2014 Requirements\"<\/a>. International Organization for Standardization. September 2015<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.iso.org\/standard\/62085.html\" target=\"_blank\">https:\/\/www.iso.org\/standard\/62085.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=ISO+9001%3A2015+Quality+management+systems+%E2%80%94+Requirements&rft.atitle=&rft.date=September+2015&rft.pub=International+Organization+for+Standardization&rft_id=https%3A%2F%2Fwww.iso.org%2Fstandard%2F62085.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Casey, Eoghan; Ferraro, Monique; Nguyen, Lam (1 November 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1556-4029.2009.01150.x\" target=\"_blank\">\"Investigation Delayed Is Justice Denied: Proposals for Expediting Forensic Examinations of Digital Evidence*\"<\/a> (in en). <i>Journal of Forensic Sciences<\/i> <b>54<\/b> (6): 1353\u20131364. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Fj.1556-4029.2009.01150.x\" target=\"_blank\">10.1111\/j.1556-4029.2009.01150.x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0022-1198\" target=\"_blank\">0022-1198<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1556-4029.2009.01150.x\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1556-4029.2009.01150.x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Investigation+Delayed+Is+Justice+Denied%3A+Proposals+for+Expediting+Forensic+Examinations+of+Digital+Evidence%2A&rft.jtitle=Journal+of+Forensic+Sciences&rft.aulast=Casey&rft.aufirst=Eoghan&rft.au=Casey%2C%26%2332%3BEoghan&rft.au=Ferraro%2C%26%2332%3BMonique&rft.au=Nguyen%2C%26%2332%3BLam&rft.date=1+November+2009&rft.volume=54&rft.issue=6&rft.pages=1353%E2%80%931364&rft_id=info:doi\/10.1111%2Fj.1556-4029.2009.01150.x&rft.issn=0022-1198&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2Fj.1556-4029.2009.01150.x&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Charan, J.L.; Manikyam, K.S. (2023). \"Forensic Science and its Limitations in Rape and Murder Cases in India\". <i>Journal of Forensic Science and Medicine<\/i> <b>9<\/b> (1): 91\u201397. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4103%2Fjfsm.jfsm_98_21\" target=\"_blank\">10.4103\/jfsm.jfsm_98_21<\/a>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Forensic+Science+and+its+Limitations+in+Rape+and+Murder+Cases+in+India&rft.jtitle=Journal+of+Forensic+Science+and+Medicine&rft.aulast=Charan%2C+J.L.%3B+Manikyam%2C+K.S.&rft.au=Charan%2C+J.L.%3B+Manikyam%2C+K.S.&rft.date=2023&rft.volume=9&rft.issue=1&rft.pages=91%E2%80%9397&rft_id=info:doi\/10.4103%2Fjfsm.jfsm_98_21&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Airlie, Melissa; Robertson, James; Krosch, Matt N.; Brooks, Elizabeth (1 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073821000244\" target=\"_blank\">\"Contemporary issues in forensic science\u2014Worldwide survey results\"<\/a> (in en). <i>Forensic Science International<\/i> <b>320<\/b>: 110704. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.forsciint.2021.110704\" target=\"_blank\">10.1016\/j.forsciint.2021.110704<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073821000244\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073821000244<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Contemporary+issues+in+forensic+science%E2%80%94Worldwide+survey+results&rft.jtitle=Forensic+Science+International&rft.aulast=Airlie&rft.aufirst=Melissa&rft.au=Airlie%2C%26%2332%3BMelissa&rft.au=Robertson%2C%26%2332%3BJames&rft.au=Krosch%2C%26%2332%3BMatt+N.&rft.au=Brooks%2C%26%2332%3BElizabeth&rft.date=1+March+2021&rft.volume=320&rft.pages=110704&rft_id=info:doi\/10.1016%2Fj.forsciint.2021.110704&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0379073821000244&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.iso.org\/standard\/63787.html\" target=\"_blank\">\"ISO 45001:2018 Occupational health and safety management systems \u2014 Requirements with guidance for use\"<\/a>. International Organization for Standardization. March 2018<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.iso.org\/standard\/63787.html\" target=\"_blank\">https:\/\/www.iso.org\/standard\/63787.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=ISO+45001%3A2018+Occupational+health+and+safety+management+systems+%E2%80%94+Requirements+with+guidance+for+use&rft.atitle=&rft.date=March+2018&rft.pub=International+Organization+for+Standardization&rft_id=https%3A%2F%2Fwww.iso.org%2Fstandard%2F63787.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Robitaille, D. (2011). <i>The Corrective Action Handbook<\/i> (2nd ed.). Paton Professional. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 9781932828405.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=The+Corrective+Action+Handbook&rft.aulast=Robitaille%2C+D.&rft.au=Robitaille%2C+D.&rft.date=2011&rft.edition=2nd&rft.pub=Paton+Professional&rft.isbn=9781932828405&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/asq.org\/quality-resources\/root-cause-analysis\" target=\"_blank\">\"What Is Root Cause Analysis (RCA)?\"<\/a>. American Society for Quality. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/asq.org\/quality-resources\/root-cause-analysis\" target=\"_blank\">https:\/\/asq.org\/quality-resources\/root-cause-analysis<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=What+Is+Root+Cause+Analysis+%28RCA%29%3F&rft.atitle=&rft.date=2023&rft.pub=American+Society+for+Quality&rft_id=https%3A%2F%2Fasq.org%2Fquality-resources%2Froot-cause-analysis&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:9-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:9_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:9_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Houck, Max M. (6 December 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/19409044.2016.1224278\" target=\"_blank\">\"Risk, Reward, and Redemption: Root Cause Analysis in Forensic Organizations\"<\/a> (in en). <i>Forensic Science Policy & Management: An International Journal<\/i> <b>7<\/b> (3-4): 106\u2013112. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1080%2F19409044.2016.1224278\" target=\"_blank\">10.1080\/19409044.2016.1224278<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1940-9044\" target=\"_blank\">1940-9044<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/19409044.2016.1224278\" target=\"_blank\">https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/19409044.2016.1224278<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Risk%2C+Reward%2C+and+Redemption%3A+Root+Cause+Analysis+in+Forensic+Organizations&rft.jtitle=Forensic+Science+Policy+%26+Management%3A+An+International+Journal&rft.aulast=Houck&rft.aufirst=Max+M.&rft.au=Houck%2C%26%2332%3BMax+M.&rft.date=6+December+2016&rft.volume=7&rft.issue=3-4&rft.pages=106%E2%80%93112&rft_id=info:doi\/10.1080%2F19409044.2016.1224278&rft.issn=1940-9044&rft_id=https%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.1080%2F19409044.2016.1224278&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:10-22\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:10_22-0\">22.0<\/a><\/sup> <sup><a href=\"#cite_ref-:10_22-1\">22.1<\/a><\/sup> <sup><a href=\"#cite_ref-:10_22-2\">22.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFHeavey2023\">Heavey, Anna L. (2023), <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780128236772001732\" target=\"_blank\">\"Principles of Quality Assurance\"<\/a> (in en), <i>Encyclopedia of Forensic Sciences, Third Edition<\/i> (Elsevier): 290\u2013297, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fb978-0-12-823677-2.00173-2\" target=\"_blank\">10.1016\/b978-0-12-823677-2.00173-2<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-12-823678-9<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780128236772001732\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780128236772001732<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-10-17<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Principles+of+Quality+Assurance&rft.jtitle=Encyclopedia+of+Forensic+Sciences%2C+Third+Edition&rft.aulast=Heavey&rft.aufirst=Anna+L.&rft.au=Heavey%2C%26%2332%3BAnna+L.&rft.date=2023&rft.pages=290%E2%80%93297&rft.pub=Elsevier&rft_id=info:doi\/10.1016%2Fb978-0-12-823677-2.00173-2&rft.isbn=978-0-12-823678-9&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FB9780128236772001732&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/nata.com.au\/files\/2021\/05\/Forensic-Science-ISO-IEC-17025-Appendix-effective-feb-2020.pdf\" target=\"_blank\">\"Specific Accreditation Criteria, ISO\/IEC 17025 Application Document, Legal (including Forensic Science) - Appendix\"<\/a> (PDF). National Association of Testing Authorities. September 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nata.com.au\/files\/2021\/05\/Forensic-Science-ISO-IEC-17025-Appendix-effective-feb-2020.pdf\" target=\"_blank\">https:\/\/nata.com.au\/files\/2021\/05\/Forensic-Science-ISO-IEC-17025-Appendix-effective-feb-2020.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Specific+Accreditation+Criteria%2C+ISO%2FIEC+17025+Application+Document%2C+Legal+%28including+Forensic+Science%29+-+Appendix&rft.atitle=&rft.date=September+2023&rft.pub=National+Association+of+Testing+Authorities&rft_id=https%3A%2F%2Fnata.com.au%2Ffiles%2F2021%2F05%2FForensic-Science-ISO-IEC-17025-Appendix-effective-feb-2020.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sheikhtaheri, Abbas (1 June 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/26110160\" target=\"_blank\">\"Near Misses and Their Importance for Improving Patient Safety\"<\/a>. <i>Iranian Journal of Public Health<\/i> <b>43<\/b> (6): 853\u2013854. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2251-6085\" target=\"_blank\">2251-6085<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/4475608\/\" target=\"_blank\">4475608<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26110160\" target=\"_blank\">26110160<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/26110160\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/26110160<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Near+Misses+and+Their+Importance+for+Improving+Patient+Safety&rft.jtitle=Iranian+Journal+of+Public+Health&rft.aulast=Sheikhtaheri&rft.aufirst=Abbas&rft.au=Sheikhtaheri%2C%26%2332%3BAbbas&rft.date=1+June+2014&rft.volume=43&rft.issue=6&rft.pages=853%E2%80%93854&rft.issn=2251-6085&rft_id=info:pmc\/4475608&rft_id=info:pmid\/26110160&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F26110160&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Christensen, Angi M.; Crowder, Christian M.; Ousley, Stephen D.; Houck, Max M. (1 January 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/1556-4029.12275\" target=\"_blank\">\"Error and its Meaning in Forensic Science\"<\/a> (in en). <i>Journal of Forensic Sciences<\/i> <b>59<\/b> (1): 123\u2013126. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2F1556-4029.12275\" target=\"_blank\">10.1111\/1556-4029.12275<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0022-1198\" target=\"_blank\">0022-1198<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/1556-4029.12275\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/1556-4029.12275<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Error+and+its+Meaning+in+Forensic+Science&rft.jtitle=Journal+of+Forensic+Sciences&rft.aulast=Christensen&rft.aufirst=Angi+M.&rft.au=Christensen%2C%26%2332%3BAngi+M.&rft.au=Crowder%2C%26%2332%3BChristian+M.&rft.au=Ousley%2C%26%2332%3BStephen+D.&rft.au=Houck%2C%26%2332%3BMax+M.&rft.date=1+January+2014&rft.volume=59&rft.issue=1&rft.pages=123%E2%80%93126&rft_id=info:doi\/10.1111%2F1556-4029.12275&rft.issn=0022-1198&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2F1556-4029.12275&rfr_id=info:sid\/en.wikipedia.org:Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with changes to presentation, spelling, and grammar as needed. The PMCID and DOI were added when they were missing from the original reference. Everything else remains true to the original article, per the \"NoDerivatives\" portion of the distribution license.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104030252\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.988 seconds\nReal time usage: 1.361 seconds\nPreprocessor visited node count: 21743\/1000000\nPost\u2010expand include size: 157979\/2097152 bytes\nTemplate argument size: 53012\/2097152 bytes\nHighest expansion depth: 18\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 48782\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 673.956 1 -total\n 73.39% 494.583 1 Template:Reflist\n 53.70% 361.937 25 Template:Citation\/core\n 35.60% 239.943 12 Template:Cite_journal\n 19.72% 132.885 11 Template:Cite_web\n 14.44% 97.319 1 Template:Infobox_journal_article\n 13.40% 90.309 1 Template:Infobox\n 10.46% 70.480 21 Template:Date\n 8.73% 58.828 80 Template:Infobox\/row\n 6.63% 44.663 23 Template:Citation\/identifier\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14405-0!canonical and timestamp 20240104030250 and revision id 53233. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand\">https:\/\/www.limswiki.org\/index.php\/Journal:Management_and_disclosure_of_quality_issues_in_forensic_science:_A_survey_of_current_practice_in_Australia_and_New_Zealand<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","a0b27afa6b48d2776ba321524c2ad2bc_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e0\/Fig1_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/0\/09\/Fig2_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8a\/Fig3_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/1a\/Fig4_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/29\/Fig5_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/f\/f7\/Fig6_Heavey_ForSciIntSyn2023_7.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/af\/Fig7_Heavey_ForSciIntSyn2023_7.jpg"],"a0b27afa6b48d2776ba321524c2ad2bc_timestamp":1704389297,"a94e862a4bd2d96312988755f3501fe0_type":"article","a94e862a4bd2d96312988755f3501fe0_title":"The NOMAD Artificial Intelligence Toolkit: Turning materials science data into knowledge and understanding (Sbail\u00f2 et al. 2022)","a94e862a4bd2d96312988755f3501fe0_url":"https:\/\/www.limswiki.org\/index.php\/Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding","a94e862a4bd2d96312988755f3501fe0_plaintext":"\n\nJournal:The NOMAD Artificial Intelligence Toolkit: Turning materials science data into knowledge and understandingFrom LIMSWikiJump to navigationJump to searchFull article title\n \nThe NOMAD Artificial Intelligence Toolkit: Turning materials science data into knowledge and understandingJournal\n \nnpj Computational MaterialsAuthor(s)\n \nSbail\u00f2, Luigi; Fekete, \u00c1d\u00e1m; Ghiringhelli, Luca M.; Scheffler, MatthiasAuthor affiliation(s)\n \nHumboldt-Universit\u00e4t zu Berlin, Max-Planck-GesellschaftPrimary contact\n \nEmail: ghiringhelli at fhi dash berlin dot mpg dot deYear published\n \n2022Volume and issue\n \n8Article #\n \n250DOI\n \n10.1038\/s41524-022-00935-zISSN\n \n2057-3960Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.nature.com\/articles\/s41524-022-00935-zDownload\n \nhttps:\/\/www.nature.com\/articles\/s41524-022-00935-z.pdf (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Results \n\n3.1 Technology \n3.2 Contributing \n3.3 Data management policy \n3.4 AI Toolkit app \n3.5 Querying the NOMAD Archive and performing AI modeling on retrieved data \n3.6 NOMAD Metainfo \n3.7 Libraries of input features \n3.8 Example of exploratory analysis: Clustering \n3.9 Dimension reduction: the Visualizer \n3.10 Discovering of new topological insulators: Application of SISSO to alloyed tetradymites \n\n\n4 Discussion \n5 Acknowledgements \n\n5.1 Author contributions \n5.2 Funding \n5.3 Data and code availability \n5.4 Competing interests \n\n\n6 References \n7 Notes \n\n\n\nAbstract \nWe present the Novel Materials Discovery (NOMAD) Artificial Intelligence (AI) Toolkit, a web-browser-based infrastructure for the interactive AI-based analysis of materials science data under FAIR (findable, accessible, interoperable, and reusable) data principles. The AI Toolkit readily operates on FAIR data stored in the central server of the NOMAD Archive, the largest database of materials science data worldwide, as well as locally stored, user-owned data. The NOMAD Oasis, a local, stand-alone server can also be used to run the AI Toolkit. By using Jupyter Notebooks that run in a web-browser, the NOMAD data can be queried and accessed; data mining, machine learning (ML), and other AI techniques can then be applied to analyze them. This infrastructure brings the concept of reproducibility in materials science to the next level by allowing researchers to share not only the data contributing to their scientific publications, but also all the developed methods and analytics tools. Besides reproducing published results, users of the NOMAD AI Toolkit can modify Jupyter Notebooks toward their own research work.\nKeywords: computational methods, theory and computation, artificial intelligence, materials science, FAIR principles\n\nIntroduction \nData-centric science has been identified as the fourth paradigm of scientific research. We observe that the novelty introduced by this paradigm is twofold. First, we have seen the creation of large, interconnected databases of scientific data, which are increasingly expected to comply with the so-called FAIR principles[1] of scientific data management and stewardship, meaning that the data and related metadata need to be findable, accessible, interoperable, and reusable (or repurposable, or recyclable). Second, we have seen growing use of artificial intelligence (AI) algorithms, applied to scientific data, in order to find patterns and trends that would be difficult, if not impossible, to identify by unassisted human observation and intuition.\nIn the last few years, materials science has experienced both of these novelties. Databases, in particular from computational materials science, have been created via high-throughput screening initiatives, mainly boosted by the U.S.-based Materials Genome Initiative (MGI), starting in the early 2010s, e.g., AFLOW[2], the Materials Project[3], and OQMD.[4] At the end of 2014, the NOMAD (Novel Materials Discovery) Laboratory launched the NOMAD Repository & Archive[5][6][7], the first FAIR storage infrastructure for computational materials science data. NOMAD\u2019s servers and storage are hosted by the Max Planck Computing and Data Facility (MPCDF) in Garching (Germany). The NOMAD Repository stores, as of today, input and output files from more than 50 different atomistic (ab initio and molecular mechanics) codes. It total, more than 100 million total-energy calculations have been uploaded by various materials scientists from their local storage, or from other public databases. The NOMAD Archive stores the same information, but it is converted, normalized, and characterized by means of a metadata schema, the NOMAD Metainfo[8], which allows for the labeling of most of the data in a code-independent representation. The translation from the content of raw input and output files into the code-independent NOMAD Metainfo format makes the data ready for AI analysis.\nBesides the above-mentioned databases, other platforms for the open-access storage and access of materials science data appeared in recent years, such as the Materials Data Facility[9][10] and Materials Cloud.[11] Furthermore, many groups have been storing their materials science data on Zenodo[12] and have provided the digital object identifier (DOI) to openly access them in publications. The peculiarity of the NOMAD Repository & Archive is in the fact that users upload the full input and output files from their calculations into the Repository, and then such information is mapped onto the Archive, which (other) users can access via a unified application programming interface (API).\nMaterials science has embraced also the second aspect of the fourth paradigm, i.e., AI-driven analysis. The applications of AI to materials science span two main classes of methods. One is the modeling of potential-energy surfaces by means of statistical models that promise to yield ab initio accuracy at a fraction of the evaluation time[13][14][15][16][17][18] (if the CPU time necessary to produce the training data set is not considered). The other class is the advent of so-called materials informatics, i.e., the statistical modeling of materials aimed at predicting their physical, often technologically relevant properties[19][20][21][22][23][24], by knowing limited input information about them, often just their stoichiometry. The latter aims at identifying the minimal set of descriptors (the materials\u2019 genes) that correlate with properties of interest. This aspect, together with the observation that only a very small amount of the almost infinite number of possible materials is known today, may lead to the identification of undiscovered materials that have properties (e.g., conductivity, plasticity, elasticity, etc.) superior to the known ones.\nThe NOMAD CoE has recognized the importance of enabling the AI analysis of the stored FAIR data and has launched the NOMAD AI Toolkit. This web-based infrastructure allows users to run in web-browser computational notebooks (i.e., interactive documents that freely mix code, results, graphics, and text, supported by a suitable virtual environment) for performing complex queries and AI-based exploratory analysis and predictive modeling on the data contained in the NOMAD Archive. In this respect, the AI Toolkit pushes to the next, necessary step the concept of FAIR data, by recognizing that the most promising purpose of the FAIR principles is enabling AI analysis of the stored data. As a mnemonic, the next step in FAIR data starts by upgrading its meaning to \"findable and AI-ready data.\"[25]\nThe mission of the NOMAD AI Toolkit is threefold, as reflected in the access points shown in its home page (Fig. 1):\n\nProviding an API and libraries for accessing and analyzing the NOMAD Archive data via state-of-the-art (and beyond) AI tools;\nProviding a set of tutorials with a shallow learning curve, from the hands-on introduction to the mastering of AI techniques; and\nMaintaining a community-driven, growing collection of computational notebooks, each dedicated to an AI-based materials science publication. (By providing both the annotated data and the scripts for their analysis, students and scholars worldwide are enabled to retrace all the steps that the original researchers followed to reach publication-level results. Furthermore, the users can modify the existing notebooks and quickly check alternative ideas.)\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. The NOMAD AI Toolkit homepage showcases the three purposes of the NOMAD AI toolkit: querying (and analyzing) the content of the NOMAD Archive, providing tutorials for AI tools, and accessing the AI workflow of published work. The fourth access point, \"Get to work,\" is for experienced users, who can create and manage their own workspace.\n\n\n\nThe data science community has introduced several platforms for performing AI-based analysis of scientific data, typically by providing rich libraries for machine learning (ML) and AI, and often offering users online resources for running electronic notebooks. General purpose frameworks such as Binder[26] and Google Colab[27]\u2014as well as dedicated materials science frameworks such as nanoHUB[28], pyIron[29], AiidaLab[30], and MatBench[31]\u2014are the most used by the community. In all these cases, great effort is devoted to education via online and in-person tutorials. The main specificity of the NOMAD AI Toolkit is in connecting within the same infrastructure the data, as stored in the NOMAD Archive, to their AI analysis. Moreover, as detailed below, users have in the same environment all available AI tools, as well as access to the NOMAD data, without the need to install anything.\nThe rest of this paper is structured as follows. In the \u201cResults\u201d section, we describe the technology of the AI Toolkit. In the \u201cDiscussion\u201d and \u201cData Availability\u201d sections, we describe two exemplary notebooks: one notebook is a tutorial introduction to the interactive querying and exploratory analysis of the NOMAD Archive data, and the other notebook demonstrates the possibility to report publication-level materials science results[32], while enabling the users to put their hands on the workflow, by modifying the input parameters and observing the impact of their interventions.\n\nResults \nTechnology \nWe provide a user-friendly infrastructure to apply the latest AI developments and the most popular ML methods to materials science data. The NOMAD AI Toolkit aims at facilitating the deployment of sophisticated AI algorithms by means of an intuitive interface that is accessible from a webpage. In this way, AI-powered methodologies are transferred to materials science. In fact, the most recent advances in AI are usually available as software stored on web repositories. However, these need to be installed in a local environment, which requires specific bindings and environment variables. Such an installation can be a tedious process, which limits the diffusion of these computational methods, and also brings in the problem of reproducibility of published results. The NOMAD AI Toolkit offers a solution to this, by providing the software, that we install and maintain, in an environment that is accessible directly from the web.\nDocker[33] allows the installation of software in a container that is isolated from the host machine where it is running. In the NOMAD AI Toolkit, we maintain such a container, installing therein software that has been used to produce recently published results and taking care of the versioning of all required packages. Jupyter Notebooks are then used inside the container to interact with the underlying computational engine. Interactions include the execution of code, displaying the results of computations, and writing comments or explanations by using markup language. We opted for Jupyter Notebooks because such interactivity is ideal for combining computation and analysis of the results in a single framework. The kernel of the notebooks, i.e., the computational engine that runs the code, is set to read Python. Python has built-in support for scientific computing as the SciPy ecosystem, and it is highly extensible because it allows the wrapping of code written in compiled languages such as C or C++. This technological infrastructure is built using JupyterHub[34] and deploys servers that are orchestrated by Kubernetes on computing facilities offered by the MPCDF in Garching, Germany. Users of the AI Toolkit can currently run their analyses on up to eight\u2009CPU cores, with up to 10 GB RAM.\nA key feature of the NOMAD AI Toolkit is that we allow users to create, modify, and store computational notebooks where original AI workflows are developed. From the \u201cGet to work\u201d button accessible at https:\/\/nomad-lab.eu\/aitoolkit, registered users are redirected to a personal space, where we provide 10\u2009GB of cloud storage and where work can also be saved. Jupyter Notebooks, which are created inside the \u201cwork\u201d directory in the user's personal space, are stored on our servers and can be accessed and edited over time. These notebooks are placed in the NOMAD AI Toolkit environment, which means that all software and methods demonstrated in other tutorials can be deployed therein. The versatility of Jupyter Notebooks in fact facilitates an interactive and instantaneous combination of different methods. This is useful if one aims at, e.g., combining different methods available in the NOMAD AI Toolkit in an original manner, or to deploy a specific algorithm to a dataset that is retrieved from the NOMAD Archive. The original notebook, which is developed in the \"work\" directory, might then lead to a publication, and the notebook can then be added to the \u201cPublished results\u201d section of the AI Toolkit.\n\nContributing \nThe NOMAD AI Toolkit aims to promote reproducibility of published results. Researchers working in the field of AI applied to materials science are invited to share their software and install it in the NOMAD AI Toolkit. The shared software can be used in citeable Jupyter Notebooks, which are accessible online, to reproduce results that have been recently published in scientific journals. Sharing software and methods in a user-friendly infrastructure such as the NOMAD AI Toolkit can also promote the visibility of research and boost interdisciplinary collaborations.\nAll Jupyter Notebooks currently available in the NOMAD AI Toolkit are located in the same Docker container, thus allowing transferability of methods and pipelines between different notebooks. This also implies that software employed is constrained to be installed using the same package versions for each notebook. However, to facilitate a faster and more robust integration of external contributions to the NOMAD AI Toolkit, we allow the creation of separated Docker containers which can have their own versioning. Having a separate Docker container for a notebook allows to minimize maintenance of the notebook, and it avoids further updates when, e.g., package versions are updated in the main Docker container.\nContributing to the NOMAD AI Toolkit is straightforward, and consists of the following system considerations:\n\nData must be uploaded to the NOMAD Archive & Repository, either in the public server (https:\/\/nomad-lab.eu\/prod\/rae\/gui\/uploads) or in the local, self-contained variant.\nSoftware needs to be installed in the base image of the NOMAD AI Toolkit.\nThe whole workflow of a (published) project, from importing the data to generating results, has to be placed in a Jupyter Notebook. The package(s) and notebook are then uploaded to GitLab in a public repository (https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/analytics), where the back-end code is stored.\nA DOI is generated for the notebook, which is versioned in GitLab. In the spirit of, e.g., Cornell University\u2019s arXiv.org, the latest version of the notebook is linked to the DOI, but all previous versions are maintained.\nResearchers interested in contributing to the NOMAD AI Toolkit are invited to contact us for further details.\n\nData management policy \nFor maintenance reasons, NOMAD keeps anonymous access logs for API calls for a limited amount of time. However, those logs are not associated with NOMAD users; in fact, users do not need to provide authentication to use the NOMAD APIs. We also would like to note that query commands used for extracting the data that are analyzed in a given notebook are part of the notebook itself, hence stored. This guarantees reproducibility of the AI analysis as the same query commands will always yield the same outcome, e.g., the same data points for the AI analysis. Publicly shared notebooks on the AI Toolkit platform are required to adopt the Apache License Version 2. Finally, we note that the overall NOMAD infrastructure, including the AI Toolkit, will be maintained for at least 10 years after the last data upload.\n\nAI Toolkit app \nIn addition to the web-based toolkit, we also maintain an app that allows the deployment of the NOMAD AI Toolkit environment[35] on a local machine. This app employs the same graphical user interface (GUI) as the online version; in particular, the user accesses it via a normal web browser. However, the browser does not need to have access to the web and can therefore run behind firewalls. Software and methods installed in the NOMAD AI Toolkit will deploy the user's personal computational resources. This can be useful when calculations are particularly demanding, and also when AI methods are applied to private data that should not access the web. Through the local app, both the data on the NOMAD server and locally stored data can be accessed. The latter access is supported by NOMAD OASIS, the stand-alone version of the NOMAD infrastructure.[36]\n\nQuerying the NOMAD Archive and performing AI modeling on retrieved data \nThe NOMAD AI Toolkit features the tutorial \u201cQuerying the archive and performing artificial intelligence modeling\u201d notebook[37] (also accessible from the \u201cQuery the archive\u201d button at https:\/\/nomad-lab.eu\/aitoolkit), which demonstrates all steps required to perform AI analysis on data stored in the NOMAD Archive. These steps are the following: (i) querying the data by using the RESTful API (see below) that is built on the NOMAD Metainfo; (ii) loading the needed AI packages, including the library of features that are used to fingerprint the data points (materials) in the AI analysis; and (iii) performing the AI training and visualizing the results.\nThe NOMAD Laboratory has developed the NOMAD Python package, which includes a client module to query the Archive using the NOMAD API. All functionalities of the NOMAD Repository & Archive are offered through a RESTful API, i.e., an API that uses HTTP methods to access data. In other words, each item in the Archive (typically a JSON data file) is reachable via a URL accessible from any web browser.\nIn the example notebook[37], we use the NOMAD Python client library to retrieve ternary elements containing oxygen. We also request that the ab initio calculations were carried out with the VASP code, using exchange-correlation (xc) functionals from the generalized gradient approximation (GGA) family. In addition, to ensure that calculations have converged, we also set that the energy difference during geometry optimization has converged. As of April 2022, this query retrieves almost 8,000 entries, which are the results of simulations carried out at different laboratories. We emphasize that in this notebook we show how data with heterogeneous origin can be used consistently for ML analyses.\nHere, we target atomic density, which is obtained by a geometrically converged DFT calculation. The client module in the NOMAD Python package establishes a client-server connection in a so-called lazy manner, i.e., data are not fetched altogether, but with an iterative query. Entries are then iteratively retrieved, and each entry allows to access data and metadata relative to the simulation results that have been uploaded. In this example, the queried materials are composed of three different elements, where one of the elements is required to be oxygen. From each entry of the query, we retrieve the converged value of the atomic density and the name and stoichiometric ratio of the other two chemical elements. During the query, we use the atomic features library (see below) to add other atomic features to the dataframe that is built with the retrieved data. Before discussing the actual analysis performed in the notebook, let us briefly comment on NOMAD Metainfo and the libraries of input (atomic) features.\n\nNOMAD Metainfo \nThe NOMAD API has access to the data in the NOMAD Archive, which are organized by means of NOMAD Metainfo.[8][38] Here, we mention that it is a hierarchical and modular schema, where each piece of information contained in an input\/output file of an atomistic simulation code has its own metadata entry. The metadata are organized in sections (akin to tables in a relational database) such as \"System,\" containing information on the geometry and composition of the simulated system, and \"Method,\" containing information on the physical model (e.g., type of xc functional, type of relativistic treatment, and basis set). Crucially, each item in any section (i.e., a column, in the relational database analogy, where each data object is a row) has a unique name. Such name (e.g., \u201catoms,\u201d which is a list of the atomic symbols of all chemical species present in a simulation cell) is associated with values that can be searched via the API. In practice, one can search all compounds containing oxygen by specifying query={\u2019atoms\u2019: [\u2019O\u2019]} as the argument of the query_archive() function, which is the backbone of the NOMAD API.\n\nLibraries of input features \nTogether with the materials data, the other important piece of information for an AI analysis is the representation of each data point. A possible choice, useful for exploratory analysis, but also the training of predictive models, is to represent the atoms in the simulation cell by means of their periodic table properties (also called atomic features), e.g., atomic number, row and column in the periodic table, ionic or covalent radii, and electronegativity. In order to facilitate access to these features, we maintain the atomic_collections library, containing features for all atoms in the periodic table (up to Z\u2009=\u2009100), calculated via DFT with a selection of xc functionals. Furthermore, we have also installed the MATMINER package[39], a recently introduced rich library of atomic properties from calculations and experiment. In this way, all atomic properties defined in the various sources are available within the toolkit environment.\n\nExample of exploratory analysis: Clustering \nWe now proceed with the discussion of the showcase notebook, which performs an unsupervised learning analysis called \"clustering.\" The evolutionary human ability to recognize patterns in empirical data has led to the most disparate scientific findings, from, e.g., Kepler\u2019s Laws to the Lorenz attractor. However, finding patterns in highly multidimensional data requires automated tools. Here, we would like to understand whether the data retrieved form the NOMAD Archive can be grouped into clusters of data that share a similar representation, where data points within the same cluster are similar to each other while being different from data points belonging to other clusters. The notion of similarity in the discussed unsupervised learning task is strictly related to the representation of the data, here a set of atomic properties of the constituent material.\nA plethora of different clustering algorithms has been developed in the last few years, each with different ideal applications (see, e.g., our tutorial notebook introducing the most popular clustering algorithms[40]). Among the various algorithms currently available, we chose a recent algorithm, which we will briefly outline below, that stands out for simplicity, quality of the results, and robustness.\nThe clustering algorithm that is employed in this notebook is the hierarchical density-based spatial clustering of applications with noise (HDBSCAN)[41], a recent extension of the popular DBSCAN algorithm.[42] As density-based algorithms, HDBSCAN relies on the idea that clusters are islands of high-density points separated by a sea of low-density points. The data points in the low-density region are labeled as \"outliers\" and are not associated with any clusters. Outlier identification is at the core of the HDBSCAN algorithm, which uses the mutual reachability distance, i.e., a specific distance metric to distort the space so as to \u201cpush\u201d outliers away from the high-density regions.\nCluster definition is to some extent subtle, as many possible different combinations are acceptable. One of the main challenges is represented by nested clusters, where it is not always trivial to decide whether a relatively large cluster should be decomposed into more subclusters, or if instead a unique supercluster should be taken. The HDBSCAN algorithm performs a hierarchical exploration that evaluates possible subdivisions of the data into clusters. Initially, for low values of the distance threshold, there is only one large cluster that includes all points. As the threshold is lowered, the cluster can eventually split into smaller subclusters. This algorithm automatically decides whether to split the supercluster, and this decision is based on how robust\u2014with respect to further divisions\u2014the new subclusters would be. If, for example, after a cluster division many other splittings would shortly follow while lowering the threshold distance, then the larger supercluster is taken; if, otherwise, the subclusters do not immediately face further subdivisions, they are selected instead of the large supercluster.\n\nDimension reduction: the Visualizer \nThe NOMAD AI Toolkit also comes with Visualizer, a package which allows a straightforward analysis of tabulated data that contain materials structures, and which is optimized for data retrieved from the NOMAD Archive. Visualizer is built using the PLOTLY package[43], which allows the creation of an interactive map, whose usability is improved using ipywidgets. An example is shown in Fig. 2. The map shows with distinct colors different clusters of materials, that were embedded into a two-dimensional plane using the dimension reduction algorithm t-SNE.[44] We would like to remark that axes in this embedding do not have a meaning and cannot be expressed as a global function of the features spanning the original space. This embedding algorithm, as many nonlinear embedding algorithms, finds a low dimensional representation where pairwise distances between data points are preserved, which makes it possible to visualize clusters of points in a two-dimensional plot.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 2. Snapshot of Visualizer in the \"Querying the Archive and performing artificial intelligence modeling\u2019 notebook. The visualization of a two-dimensional map allows to identify subsets (in AI nomenclature: clusters) of materials with similar properties. Two windows at the bottom of the map allow viewing the structures of the compounds in the map. Clicking a point shows the structure of the selected material. Ticking the box on top of the windows selects which one of the two windows is used for the next visualization. The two windows have different types of symbols (here, crosses) to mark the position on the map. It is also possible to display a specific material chosen from the \"Compound\" text box to show its structure and its position on the map, which is then labeled with a cross. In this figure, two compounds are visualized, and it is possible to spot the position of the materials on the map.\n\n\n\nClicking on any of the points in the map displays the atomic structure of the material in one of the windows at the bottom of the map. The position of the compound that is displayed is marked with a cross on the map. There are two different display windows to facilitate the comparison of different structures, and the window for the next visualization is selected with a tick box on top of Visualizer. By clicking \u201cDisplay,\u201d the structure of the material and its position on the map are shown. We also provide some plotting utilities to generate high-quality plots (see Fig. 3). Controls for fine-tuning the printing quality and appearance are displayed by clicking the \u201cFor a high-quality print \u2026\u201d button.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 3. An example of a high-quality plot that can be produced using Visualizer. The \u201cToggle on\/off plot appearance utils\u201d button displays a number of controls that can be used to modify and generate the plots. It is possible to change resolution, format file, color palette for the markers, text format and size, and markers' size.\n\n\n\nDiscovering of new topological insulators: Application of SISSO to alloyed tetradymites \nAs a second, complementary example, we discuss a notebook that addresses an analysis of topological semiconductors.[32] The employed AI method is SISSO (sure-independent screening combined with sparsifying operator[23]), which combines symbolic regression with compressed sensing. In practice, for a given target property of a class of materials, SISSO identifies a low-dimensional descriptor, out of a huge number of candidates (billions, or more). The candidate descriptors, the materials genes, are constructed as algebraic expressions, by combining mathematical operators (e.g., sums, products, exponentials, powers) with basic physical quantities, called primary features. These features are properties of the materials, or their constituents (e.g., the atomic species in the material\u2019s composition), that are (much) easier to evaluate (or measure) than the target properties that are modeled by using the SISSO-selected features as input and with the mathematical relationship identified as well by SISSO. In the work of Cao et al.[32], the materials property of interest was the classification between topological vs. trivial insulators.\nThe addressed class of materials was the tetradymites family, i.e., materials with the general chemical formula AB\u2009\u2212\u2009LMN, where the cations A,\u2009B\u2009\u2208\u2009{As, Sb, Bi} and the anions L,\u2009M,\u2009N\u2009\u2208\u2009{S, Se, Te}, and a trigonal (R3m) symmetry. Some of these materials are known to be topological insulators, and the data-driven task was to predict the classification into topological vs. trivial insulators of all possible such materials, just by knowing their formula, by using as training data a set of 152 tetradymites for which the topological invariant Z2 is calculated via DFT for the optimized geometries.\nIn the notebook \u201cDiscovery of new topological insulators in alloyed tetradymites\u201d[45], we invite the user to interactively reproduce the results of Cao et al.[32], namely the materials property map as shown in Fig. 5. The map is obtained within the notebook, after selecting as input settings the same primary features and other SISSO parameters as used for the publication. In Figure 4, we show a snapshot of the input widget, where users can select features, operators, and SISSO parameters according to their preference and test alternative results. When clicking \u201cRun,\u201d the SISSO code is running within the container created for the user at the NOMAD server. In the notebook, the map as shown in Fig. 5 is managed by the same Visualizer for the query-and-analyze notebook. This means that by mouse hovering, the chemical formula of the compound represented by the marker is shown in a tooltip. By clicking a marker, the crystal structure of the corresponding material is shown in a box below the plot.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 4. Graphical input interface for the SISSO training of tetradymite-materials classification. The snapshot is taken from the \"Discovery of new topological insulators in alloyed tetradymites\" notebook.\n\n\n\n\n\n\n\n\n\n\n\n\nFigure 5. Interactive map of tetradymite materials, as produced with the AI Toolkit's Visualizer. The topological (trivial) insulator training points are marked in red (blue). All materials falling in the convex hulls delimited by the dashed line enveloping the red (blue) points are predicted to be topological (trivial) insulators. The axes, D1 and D2, are the components of the descriptor identified by SISSO, in terms of analytical function of the selected input parameters (see Cao et al.[32] and the AI Toolkit notebook[45] for more details).\n\n\n\nIn summary, with the notebook \u201cDiscovery of new topological insulators in alloyed tetradymites,\u201d we provide an interactive, complementary support to Cao et al.[32], where the user can reproduce the results of the paper starting with the same input, by using the same code, and by going as far as re-obtaining exactly the same main result plot (except for the different graphical style). More than what can be found in the paper, the user can change the input settings to the SISSO learning, explore the results by changing the visualization settings, and browse the structures of the single data points. The user can also use the notebook as a template and start from other data, retrieved from the NOMAD Archive, to perform an analysis with the same method, etc.\n\nDiscussion \nWe presented the NOMAD AI Toolkit, a web-browser-based platform for performing AI analysis of materials science data, both online on NOMAD servers and locally on own computational resources, even behind firewalls. The purpose of the AI Toolkit is to provide the tools for exploiting the \"findable and AI-ready\" (F-AIR) materials science data that are contained in the NOMAD Repository & Archive, as well as several other databases in the field. The platform provides integrated access, via Jupyter Notebooks, to state-of-the-art AI methods and concepts. Shallow learning curve hands-on tutorials are provided, in the form of interactive Jupyter Notebooks, for all the available tools. A particular focus is on the reproducibility of AI-based workflows associated with high-profile publications: The AI Toolkit offers a selection of notebooks demonstrating such workflows, so that users can understand step by step what was done in publications and readily modify and adapt the workflows to their own needs. We hope this example could be an inspiration to augment future publications with similar hands-on notebooks. This will allow for enhanced reproducibility of data-driven materials science papers and dampen the learning curve for newcomers to the field. The community is invited to contribute more notebooks in order to share cutting-edge knowledge in an efficient and scientifically robust way.\n\nAcknowledgements \nWe would like to acknowledge Fawzi Mohammed, Angelo Ziletti, Markus Scheidgen, and Lauri Himanen for inspiring discussions. This work received funding from the European Union\u2019s Horizon 2020 research and innovation program under the grant agreement No. 951786 (NOMAD CoE), the ERC Advanced Grant TEC1P (No. 740233), and the German Research Foundation (DFG) through the NFDI consortium \u201cFAIRmat\u201d, project 460197019.\n\nAuthor contributions \nL.M.G. and M.S. initiated and supervised the project. L.S. and A.F. implemented the web-based version of the Toolkit. L.S. implemented the local-app version of the AI Toolkit and coded the notebooks discussed in this paper. L.S. and L.M.G. wrote the initial version of the manuscript. All authors contributed to the final version of the manuscript.\n\nFunding \nOpen Access funding enabled and organized by Projekt DEAL.\n\nData and code availability \nData and code used in this study are openly accessible on the NOMAD AI Toolkit at https:\/\/nomad-lab.eu\/aitoolkit. 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(1 February 2021). \"AiiDAlab \u2013 an ecosystem for developing, executing, and sharing scientific workflows\" (in en). Computational Materials Science 188: 110165. doi:10.1016\/j.commatsci.2020.110165. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S092702562030656X .   \n \n\n\u2191 Dunn, Alexander; Wang, Qi; Ganose, Alex; Dopp, Daniel; Jain, Anubhav (15 September 2020). \"Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm\" (in en). npj Computational Materials 6 (1): 138. doi:10.1038\/s41524-020-00406-3. ISSN 2057-3960. https:\/\/www.nature.com\/articles\/s41524-020-00406-3 .   \n \n\n\u2191 32.0 32.1 32.2 32.3 32.4 32.5 Cao, Guohua; Ouyang, Runhai; Ghiringhelli, Luca M.; Scheffler, Matthias; Liu, Huijun; Carbogno, Christian; Zhang, Zhenyu (23 March 2020). \"Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites\" (in en). Physical Review Materials 4 (3): 034204. doi:10.1103\/PhysRevMaterials.4.034204. ISSN 2475-9953. https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.4.034204 .   \n \n\n\u2191 \"Docker\". Docker, Inc. 2022. https:\/\/www.docker.com\/ .   \n \n\n\u2191 \"JupyterHub\". Jupyter Software Steering Council. 2022. https:\/\/jupyter.org\/hub .   \n \n\n\u2191 \"NOMAD AI-Toolkit App\". NOMAD Laboratory. 2022. https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/aitoolkit-app .   \n \n\n\u2191 \"Operating an OASIS\". NOMAD Documentation. NOMAD Laboratory. 2022. https:\/\/nomad-lab.eu\/prod\/v1\/docs\/oasis\/install.html .   \n \n\n\u2191 37.0 37.1 37.2 Sbail\u00f2, L.; Scheffler, M.; Ghiringhelli, L.M. (14 April 2021). \"query_nomad_archive\". NOMAD Laboratory. https:\/\/nomad-lab.eu\/aitutorials\/query_nomad_archive .   \n \n\n\u2191 Ghiringhelli, Luca M.; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Christian; Chamanara, Javad; Cozzini, Stefano; Curtarolo, Stefano et al. (2022). Shared Metadata for Data-Centric Materials Science. doi:10.48550\/ARXIV.2205.14774. https:\/\/arxiv.org\/abs\/2205.14774 .   \n \n\n\u2191 Ward, Logan; Dunn, Alexander; Faghaninia, Alireza; Zimmermann, Nils E.R.; Bajaj, Saurabh; Wang, Qi; Montoya, Joseph; Chen, Jiming et al. (1 September 2018). \"Matminer: An open source toolkit for materials data mining\" (in en). Computational Materials Science 152: 60\u201369. doi:10.1016\/j.commatsci.2018.05.018. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025618303252 .   \n \n\n\u2191 Sbail\u00f2, L.; Ghiringhelli, L. M. (21 January 2021). \"clustering_tutorial\". NOMAD Laboratory. https:\/\/nomad-lab.eu\/aitutorials\/clustering_tutorial .   \n \n\n\u2191 McInnes, Leland; Healy, John; Astels, Steve (21 March 2017). \"hdbscan: Hierarchical density based clustering\". The Journal of Open Source Software 2 (11): 205. doi:10.21105\/joss.00205. ISSN 2475-9066. http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00205 .   \n \n\n\u2191 Ester, M.; Kriegel, H.-P.; Sander, J. (1996). \"A Density-Based Algorithm for Discovering Clusters in Large Spatial Databases with Noise\". Proceedings of the Second International Conference on Knowledge Discovery and Data Mining: 226\u201331. doi:10.5555\/3001460.3001507. https:\/\/dl.acm.org\/doi\/10.5555\/3001460.3001507 .   \n \n\n\u2191 \"Plotly\". Plotly Technologies, Inc. 2022. https:\/\/plotly.com\/ .   \n \n\n\u2191 van der Maaten, L.; Hinton, G. (2008). \"Visualizing Data using t-SNE\". Journal of Machine Learning Research 9 (86): 2579\u22122605. https:\/\/jmlr.org\/papers\/v9\/vandermaaten08a.html .   \n \n\n\u2191 45.0 45.1 45.2 Sbail\u00f2, L.; Purcell, T.A.R.; Ghiringhelli, L.M. et al. (15 September 2020). \"tetradymite_PRM2020\". NOMAD Laboratory. https:\/\/nomad-lab.eu\/aitutorials\/tetradymite_prm2020 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\">https:\/\/www.limswiki.org\/index.php\/Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on laboratory informaticsLIMSwiki journal articles on materials informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 20 November 2023, at 22:19.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 512 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","a94e862a4bd2d96312988755f3501fe0_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_The_NOMAD_Artificial_Intelligence_Toolkit_Turning_materials_science_data_into_knowledge_and_understanding rootpage-Journal_The_NOMAD_Artificial_Intelligence_Toolkit_Turning_materials_science_data_into_knowledge_and_understanding skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:The NOMAD Artificial Intelligence Toolkit: Turning materials science data into knowledge and understanding<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p>We present the Novel Materials Discovery (NOMAD) <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">Artificial Intelligence<\/a> (AI) Toolkit, a web-browser-based infrastructure for the interactive AI-based analysis of <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_science\" title=\"Materials science\" class=\"wiki-link\" data-key=\"89f5ce5de41da20cf3a2144a5731d5e6\">materials science<\/a> data under FAIR (findable, accessible, interoperable, and reusable) data principles. The AI Toolkit readily operates on FAIR data stored in the central server of the NOMAD Archive, the largest database of materials science data worldwide, as well as locally stored, user-owned data. The NOMAD Oasis, a local, stand-alone server can also be used to run the AI Toolkit. By using <a href=\"https:\/\/www.limswiki.org\/index.php\/Jupyter_Notebook\" title=\"Jupyter Notebook\" class=\"wiki-link\" data-key=\"26fd35430c10e009a142bbab5dbf617a\">Jupyter Notebooks<\/a> that run in a web-browser, the NOMAD data can be queried and accessed; <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_mining\" title=\"Data mining\" class=\"wiki-link\" data-key=\"be09d3680fe1608addedf6f62692ee47\">data mining<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Machine_learning\" title=\"Machine learning\" class=\"wiki-link\" data-key=\"79aab39cfa124c958cd1dbcab3dde122\">machine learning<\/a> (ML), and other AI techniques can then be applied to analyze them. This infrastructure brings the concept of reproducibility in materials science to the next level by allowing researchers to share not only the data contributing to their scientific publications, but also all the developed methods and analytics tools. Besides reproducing published results, users of the NOMAD AI Toolkit can modify Jupyter Notebooks toward their own research work.\n<\/p><p><b>Keywords<\/b>: computational methods, theory and computation, artificial intelligence, materials science, FAIR principles\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>Data-centric science has been identified as the fourth paradigm of scientific research. We observe that the novelty introduced by this paradigm is twofold. First, we have seen the creation of large, interconnected <a href=\"https:\/\/www.limswiki.org\/index.php\/Database\" title=\"Database\" class=\"wiki-link\" data-key=\"ac630f0b5e30cbe7fed1422999c2baad\">databases<\/a> of scientific data, which are increasingly expected to comply with the so-called <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR principles<\/a><sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> of scientific <a href=\"https:\/\/www.limswiki.org\/index.php\/Information_management\" title=\"Information management\" class=\"wiki-link\" data-key=\"f8672d270c0750a858ed940158ca0a73\">data management<\/a> and stewardship, meaning that the data and related <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a> need to be findable, accessible, interoperable, and reusable (or repurposable, or recyclable). Second, we have seen growing use of <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">artificial intelligence<\/a> (AI) algorithms, applied to scientific data, in order to find patterns and trends that would be difficult, if not impossible, to identify by unassisted human observation and intuition.\n<\/p><p>In the last few years, <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_science\" title=\"Materials science\" class=\"wiki-link\" data-key=\"89f5ce5de41da20cf3a2144a5731d5e6\">materials science<\/a> has experienced both of these novelties. Databases, in particular from computational materials science, have been created via high-throughput screening initiatives, mainly boosted by the U.S.-based Materials Genome Initiative (MGI), starting in the early 2010s, e.g., AFLOW<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup>, the Materials Project<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup>, and OQMD.<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup> At the end of 2014, the NOMAD (Novel Materials Discovery) Laboratory launched the NOMAD Repository & Archive<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup>, the first FAIR storage infrastructure for computational materials science data. NOMAD\u2019s servers and storage are hosted by the Max Planck Computing and Data Facility (MPCDF) in Garching (Germany). The NOMAD Repository stores, as of today, input and output files from more than 50 different atomistic (<i>ab initio<\/i> and molecular mechanics) codes. It total, more than 100 million total-energy calculations have been uploaded by various materials scientists from their local storage, or from other public databases. The NOMAD Archive stores the same <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a>, but it is converted, normalized, and characterized by means of a metadata schema, the NOMAD Metainfo<sup id=\"rdp-ebb-cite_ref-:0_8-0\" class=\"reference\"><a href=\"#cite_note-:0-8\">[8]<\/a><\/sup>, which allows for the labeling of most of the data in a code-independent representation. The translation from the content of raw input and output files into the code-independent NOMAD Metainfo format makes the data ready for AI analysis.\n<\/p><p>Besides the above-mentioned databases, other platforms for the open-access storage and access of materials science data appeared in recent years, such as the Materials Data Facility<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup> and Materials Cloud.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> Furthermore, many groups have been storing their materials science data on Zenodo<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup> and have provided the digital object identifier (DOI) to openly access them in publications. The peculiarity of the NOMAD Repository & Archive is in the fact that users upload the full input and output files from their calculations into the Repository, and then such information is mapped onto the Archive, which (other) users can access via a unified <a href=\"https:\/\/www.limswiki.org\/index.php\/Application_programming_interface\" title=\"Application programming interface\" class=\"wiki-link\" data-key=\"36fc319869eba4613cb0854b421b0934\">application programming interface<\/a> (API).\n<\/p><p>Materials science has embraced also the second aspect of the fourth paradigm, i.e., AI-driven analysis. The applications of AI to materials science span two main classes of methods. One is the modeling of potential-energy surfaces by means of statistical models that promise to yield <i>ab initio<\/i> accuracy at a fraction of the evaluation time<sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup> (if the CPU time necessary to produce the training data set is not considered). The other class is the advent of so-called <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_informatics\" title=\"Materials informatics\" class=\"wiki-link\" data-key=\"4dd2125beb9794d0a679b921981f1ddc\">materials informatics<\/a>, i.e., the statistical modeling of materials aimed at predicting their physical, often technologically relevant properties<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:1_23-0\" class=\"reference\"><a href=\"#cite_note-:1-23\">[23]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup>, by knowing limited input information about them, often just their stoichiometry. The latter aims at identifying the minimal set of descriptors (the materials\u2019 genes) that correlate with properties of interest. This aspect, together with the observation that only a very small amount of the almost infinite number of possible materials is known today, may lead to the identification of undiscovered materials that have properties (e.g., conductivity, plasticity, elasticity, etc.) superior to the known ones.\n<\/p><p>The NOMAD CoE has recognized the importance of enabling the AI analysis of the stored FAIR data and has launched the NOMAD AI Toolkit. This web-based infrastructure allows users to run in web-browser (i.e., interactive documents that freely mix code, results, graphics, and text, supported by a suitable virtual environment) for performing complex queries and AI-based exploratory analysis and predictive modeling on the data contained in the NOMAD Archive. In this respect, the AI Toolkit pushes to the next, necessary step the concept of FAIR data, by recognizing that the most promising purpose of the FAIR principles is enabling AI analysis of the stored data. As a mnemonic, the next step in FAIR data starts by upgrading its meaning to \"findable and AI-ready data.\"<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup>\n<\/p><p>The mission of the NOMAD AI Toolkit is threefold, as reflected in the access points shown in its home page (Fig. 1):\n<\/p>\n<ul><li>Providing an API and libraries for accessing and analyzing the NOMAD Archive data via state-of-the-art (and beyond) AI tools;<\/li>\n<li>Providing a set of tutorials with a shallow learning curve, from the hands-on introduction to the mastering of AI techniques; and<\/li>\n<li>Maintaining a community-driven, growing collection of computational notebooks, each dedicated to an AI-based materials science publication. (By providing both the annotated data and the scripts for their analysis, students and scholars worldwide are enabled to retrace all the steps that the original researchers followed to reach publication-level results. Furthermore, the users can modify the existing notebooks and quickly check alternative ideas.)<\/li><\/ul>\n<p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Sbail%C3%B2_npjCompMat22_8.png\" class=\"image wiki-link\" data-key=\"5b061a78bfc3c94ebd3b7cc539869c57\"><img alt=\"Fig1 Sbail\u00f2 npjCompMat22 8.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/78\/Fig1_Sbail%C3%B2_npjCompMat22_8.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> The NOMAD AI Toolkit homepage showcases the three purposes of the NOMAD AI toolkit: querying (and analyzing) the content of the NOMAD Archive, providing tutorials for AI tools, and accessing the AI workflow of published work. The fourth access point, \"Get to work,\" is for experienced users, who can create and manage their own workspace.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The data science community has introduced several platforms for performing AI-based <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_analysis\" title=\"Data analysis\" class=\"wiki-link\" data-key=\"545c95e40ca67c9e63cd0a16042a5bd1\">analysis<\/a> of scientific data, typically by providing rich libraries for <a href=\"https:\/\/www.limswiki.org\/index.php\/Machine_learning\" title=\"Machine learning\" class=\"wiki-link\" data-key=\"79aab39cfa124c958cd1dbcab3dde122\">machine learning<\/a> (ML) and AI, and often offering users online resources for running electronic notebooks. General purpose frameworks such as Binder<sup id=\"rdp-ebb-cite_ref-26\" class=\"reference\"><a href=\"#cite_note-26\">[26]<\/a><\/sup> and Google Colab<sup id=\"rdp-ebb-cite_ref-27\" class=\"reference\"><a href=\"#cite_note-27\">[27]<\/a><\/sup>\u2014as well as dedicated materials science frameworks such as nanoHUB<sup id=\"rdp-ebb-cite_ref-28\" class=\"reference\"><a href=\"#cite_note-28\">[28]<\/a><\/sup>, pyIron<sup id=\"rdp-ebb-cite_ref-29\" class=\"reference\"><a href=\"#cite_note-29\">[29]<\/a><\/sup>, AiidaLab<sup id=\"rdp-ebb-cite_ref-30\" class=\"reference\"><a href=\"#cite_note-30\">[30]<\/a><\/sup>, and MatBench<sup id=\"rdp-ebb-cite_ref-31\" class=\"reference\"><a href=\"#cite_note-31\">[31]<\/a><\/sup>\u2014are the most used by the community. In all these cases, great effort is devoted to education via online and in-person tutorials. The main specificity of the NOMAD AI Toolkit is in connecting within the same infrastructure the data, as stored in the NOMAD Archive, to their AI analysis. Moreover, as detailed below, users have in the same environment all available AI tools, as well as access to the NOMAD data, without the need to install anything.\n<\/p><p>The rest of this paper is structured as follows. In the \u201cResults\u201d section, we describe the technology of the AI Toolkit. In the \u201cDiscussion\u201d and \u201cData Availability\u201d sections, we describe two exemplary notebooks: one notebook is a tutorial introduction to the interactive querying and exploratory analysis of the NOMAD Archive data, and the other notebook demonstrates the possibility to report publication-level materials science results<sup id=\"rdp-ebb-cite_ref-:2_32-0\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup>, while enabling the users to put their hands on the <a href=\"https:\/\/www.limswiki.org\/index.php\/Workflow\" title=\"Workflow\" class=\"wiki-link\" data-key=\"92bd8748272e20d891008dcb8243e8a8\">workflow<\/a>, by modifying the input parameters and observing the impact of their interventions.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Technology\">Technology<\/span><\/h3>\n<p>We provide a user-friendly infrastructure to apply the latest AI developments and the most popular ML methods to materials science data. The NOMAD AI Toolkit aims at facilitating the deployment of sophisticated AI algorithms by means of an intuitive interface that is accessible from a webpage. In this way, AI-powered methodologies are transferred to materials science. In fact, the most recent advances in AI are usually available as software stored on web repositories. However, these need to be installed in a local environment, which requires specific bindings and environment variables. Such an installation can be a tedious process, which limits the diffusion of these computational methods, and also brings in the problem of reproducibility of published results. The NOMAD AI Toolkit offers a solution to this, by providing the software, that we install and maintain, in an environment that is accessible directly from the web.\n<\/p><p>Docker<sup id=\"rdp-ebb-cite_ref-33\" class=\"reference\"><a href=\"#cite_note-33\">[33]<\/a><\/sup> allows the installation of software in a container that is isolated from the host machine where it is running. In the NOMAD AI Toolkit, we maintain such a container, installing therein software that has been used to produce recently published results and taking care of the versioning of all required packages. <a href=\"https:\/\/www.limswiki.org\/index.php\/Jupyter_Notebook\" title=\"Jupyter Notebook\" class=\"wiki-link\" data-key=\"26fd35430c10e009a142bbab5dbf617a\">Jupyter Notebooks<\/a> are then used inside the container to interact with the underlying computational engine. Interactions include the execution of code, displaying the results of computations, and writing comments or explanations by using markup language. We opted for Jupyter Notebooks because such interactivity is ideal for combining computation and analysis of the results in a single framework. The kernel of the notebooks, i.e., the computational engine that runs the code, is set to read <a href=\"https:\/\/www.limswiki.org\/index.php\/Python_(programming_language)\" title=\"Python (programming language)\" class=\"wiki-link\" data-key=\"ef6905a29cbb75d3c71e6bdf6e2915dd\">Python<\/a>. Python has built-in support for scientific computing as the SciPy ecosystem, and it is highly extensible because it allows the wrapping of code written in compiled languages such as C or C++. This technological infrastructure is built using JupyterHub<sup id=\"rdp-ebb-cite_ref-34\" class=\"reference\"><a href=\"#cite_note-34\">[34]<\/a><\/sup> and deploys servers that are orchestrated by Kubernetes on computing facilities offered by the MPCDF in Garching, Germany. Users of the AI Toolkit can currently run their analyses on up to eight\u2009CPU cores, with up to 10 GB RAM.\n<\/p><p>A key feature of the NOMAD AI Toolkit is that we allow users to create, modify, and store computational notebooks where original AI workflows are developed. From the \u201cGet to work\u201d button accessible at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitoolkit\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitoolkit<\/a>, registered users are redirected to a personal space, where we provide 10\u2009GB of <a href=\"https:\/\/www.limswiki.org\/index.php\/Cloud_computing\" title=\"Cloud computing\" class=\"wiki-link\" data-key=\"fcfe5882eaa018d920cedb88398b604f\">cloud storage<\/a> and where work can also be saved. Jupyter Notebooks, which are created inside the \u201cwork\u201d directory in the user's personal space, are stored on our servers and can be accessed and edited over time. These notebooks are placed in the NOMAD AI Toolkit environment, which means that all software and methods demonstrated in other tutorials can be deployed therein. The versatility of Jupyter Notebooks in fact facilitates an interactive and instantaneous combination of different methods. This is useful if one aims at, e.g., combining different methods available in the NOMAD AI Toolkit in an original manner, or to deploy a specific algorithm to a dataset that is retrieved from the NOMAD Archive. The original notebook, which is developed in the \"work\" directory, might then lead to a publication, and the notebook can then be added to the \u201cPublished results\u201d section of the AI Toolkit.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Contributing\">Contributing<\/span><\/h3>\n<p>The NOMAD AI Toolkit aims to promote reproducibility of published results. Researchers working in the field of AI applied to materials science are invited to share their software and install it in the NOMAD AI Toolkit. The shared software can be used in citeable Jupyter Notebooks, which are accessible online, to reproduce results that have been recently published in scientific journals. Sharing software and methods in a user-friendly infrastructure such as the NOMAD AI Toolkit can also promote the visibility of research and boost interdisciplinary collaborations.\n<\/p><p>All Jupyter Notebooks currently available in the NOMAD AI Toolkit are located in the same Docker container, thus allowing transferability of methods and pipelines between different notebooks. This also implies that software employed is constrained to be installed using the same package versions for each notebook. However, to facilitate a faster and more robust integration of external contributions to the NOMAD AI Toolkit, we allow the creation of separated Docker containers which can have their own <a href=\"https:\/\/www.limswiki.org\/index.php\/Version_control\" title=\"Version control\" class=\"wiki-link\" data-key=\"81823f6b21d385f8db9ac0a17b571cc1\">versioning<\/a>. Having a separate Docker container for a notebook allows to minimize maintenance of the notebook, and it avoids further updates when, e.g., package versions are updated in the main Docker container.\n<\/p><p>Contributing to the NOMAD AI Toolkit is straightforward, and consists of the following system considerations:\n<\/p>\n<ul><li>Data must be uploaded to the NOMAD Archive & Repository, either in the public server (<a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/prod\/rae\/gui\/uploads\" target=\"_blank\">https:\/\/nomad-lab.eu\/prod\/rae\/gui\/uploads<\/a>) or in the local, self-contained variant.<\/li>\n<li>Software needs to be installed in the base image of the NOMAD AI Toolkit.<\/li>\n<li>The whole workflow of a (published) project, from importing the data to generating results, has to be placed in a Jupyter Notebook. The package(s) and notebook are then uploaded to GitLab in a public repository (<a rel=\"external_link\" class=\"external free\" href=\"https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/analytics\" target=\"_blank\">https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/analytics<\/a>), where the back-end code is stored.<\/li>\n<li>A DOI is generated for the notebook, which is versioned in GitLab. In the spirit of, e.g., Cornell University\u2019s arXiv.org, the latest version of the notebook is linked to the DOI, but all previous versions are maintained.<\/li><\/ul>\n<p>Researchers interested in contributing to the NOMAD AI Toolkit are invited to contact us for further details.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Data_management_policy\">Data management policy<\/span><\/h3>\n<p>For maintenance reasons, NOMAD keeps anonymous access logs for API calls for a limited amount of time. However, those logs are not associated with NOMAD users; in fact, users do not need to provide authentication to use the NOMAD APIs. We also would like to note that query commands used for extracting the data that are analyzed in a given notebook are part of the notebook itself, hence stored. This guarantees reproducibility of the AI analysis as the same query commands will always yield the same outcome, e.g., the same data points for the AI analysis. Publicly shared notebooks on the AI Toolkit platform are required to adopt the Apache License Version 2. Finally, we note that the overall NOMAD infrastructure, including the AI Toolkit, will be maintained for at least 10 years after the last data upload.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"AI_Toolkit_app\">AI Toolkit app<\/span><\/h3>\n<p>In addition to the web-based toolkit, we also maintain an app that allows the deployment of the NOMAD AI Toolkit environment<sup id=\"rdp-ebb-cite_ref-35\" class=\"reference\"><a href=\"#cite_note-35\">[35]<\/a><\/sup> on a local machine. This app employs the same graphical user interface (GUI) as the online version; in particular, the user accesses it via a normal web browser. However, the browser does not need to have access to the web and can therefore run behind firewalls. Software and methods installed in the NOMAD AI Toolkit will deploy the user's personal computational resources. This can be useful when calculations are particularly demanding, and also when AI methods are applied to private data that should not access the web. Through the local app, both the data on the NOMAD server and locally stored data can be accessed. The latter access is supported by NOMAD OASIS, the stand-alone version of the NOMAD infrastructure.<sup id=\"rdp-ebb-cite_ref-36\" class=\"reference\"><a href=\"#cite_note-36\">[36]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Querying_the_NOMAD_Archive_and_performing_AI_modeling_on_retrieved_data\">Querying the NOMAD Archive and performing AI modeling on retrieved data<\/span><\/h3>\n<p>The NOMAD AI Toolkit features the tutorial \u201cQuerying the archive and performing artificial intelligence modeling\u201d notebook<sup id=\"rdp-ebb-cite_ref-:3_37-0\" class=\"reference\"><a href=\"#cite_note-:3-37\">[37]<\/a><\/sup> (also accessible from the \u201cQuery the archive\u201d button at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitoolkit\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitoolkit<\/a>), which demonstrates all steps required to perform AI analysis on data stored in the NOMAD Archive. These steps are the following: (i) querying the data by using the RESTful API (see below) that is built on the NOMAD Metainfo; (ii) loading the needed AI packages, including the library of features that are used to fingerprint the data points (materials) in the AI analysis; and (iii) performing the AI training and <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_visualization\" title=\"Data visualization\" class=\"wiki-link\" data-key=\"4a3b86cba74bc7bb7471aa3fc2fcccc3\">visualizing<\/a> the results.\n<\/p><p>The NOMAD Laboratory has developed the NOMAD Python package, which includes a client module to query the Archive using the NOMAD API. All functionalities of the NOMAD Repository & Archive are offered through a RESTful API, i.e., an API that uses HTTP methods to access data. In other words, each item in the Archive (typically a JSON data file) is reachable via a URL accessible from any web browser.\n<\/p><p>In the example notebook<sup id=\"rdp-ebb-cite_ref-:3_37-1\" class=\"reference\"><a href=\"#cite_note-:3-37\">[37]<\/a><\/sup>, we use the NOMAD Python client library to retrieve ternary elements containing oxygen. We also request that the <i>ab initio<\/i> calculations were carried out with the VASP code, using exchange-correlation (xc) functionals from the generalized gradient approximation (GGA) family. In addition, to ensure that calculations have converged, we also set that the energy difference during geometry optimization has converged. As of April 2022, this query retrieves almost 8,000 entries, which are the results of simulations carried out at different laboratories. We emphasize that in this notebook we show how data with heterogeneous origin can be used consistently for ML analyses.\n<\/p><p>Here, we target atomic density, which is obtained by a geometrically converged DFT calculation. The client module in the NOMAD Python package establishes a client-server connection in a so-called lazy manner, i.e., data are not fetched altogether, but with an iterative query. Entries are then iteratively retrieved, and each entry allows to access data and metadata relative to the simulation results that have been uploaded. In this example, the queried materials are composed of three different elements, where one of the elements is required to be oxygen. From each entry of the query, we retrieve the converged value of the atomic density and the name and stoichiometric ratio of the other two chemical elements. During the query, we use the atomic features library (see below) to add other atomic features to the dataframe that is built with the retrieved data. Before discussing the actual analysis performed in the notebook, let us briefly comment on NOMAD Metainfo and the libraries of input (atomic) features.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"NOMAD_Metainfo\">NOMAD Metainfo<\/span><\/h3>\n<p>The NOMAD API has access to the data in the NOMAD Archive, which are organized by means of NOMAD Metainfo.<sup id=\"rdp-ebb-cite_ref-:0_8-1\" class=\"reference\"><a href=\"#cite_note-:0-8\">[8]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-38\" class=\"reference\"><a href=\"#cite_note-38\">[38]<\/a><\/sup> Here, we mention that it is a hierarchical and modular schema, where each piece of information contained in an input\/output file of an atomistic simulation code has its own metadata entry. The metadata are organized in sections (akin to tables in a relational database) such as \"System,\" containing information on the geometry and composition of the simulated system, and \"Method,\" containing information on the physical model (e.g., type of xc functional, type of relativistic treatment, and basis set). Crucially, each item in any section (i.e., a column, in the relational database analogy, where each data object is a row) has a unique name. Such name (e.g., \u201catoms,\u201d which is a list of the atomic symbols of all chemical species present in a simulation cell) is associated with values that can be searched via the API. In practice, one can search all compounds containing oxygen by specifying <tt>query={\u2019atoms\u2019: [\u2019O\u2019]}<\/tt> as the argument of the <tt>query_archive()<\/tt> function, which is the backbone of the NOMAD API.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Libraries_of_input_features\">Libraries of input features<\/span><\/h3>\n<p>Together with the materials data, the other important piece of information for an AI analysis is the representation of each data point. A possible choice, useful for exploratory analysis, but also the training of predictive models, is to represent the atoms in the simulation cell by means of their periodic table properties (also called atomic features), e.g., atomic number, row and column in the periodic table, ionic or covalent radii, and electronegativity. In order to facilitate access to these features, we maintain the <tt>atomic_collections<\/tt> library, containing features for all atoms in the periodic table (up to <i>Z<\/i>\u2009=\u2009100), calculated via DFT with a selection of xc functionals. Furthermore, we have also installed the MATMINER package<sup id=\"rdp-ebb-cite_ref-39\" class=\"reference\"><a href=\"#cite_note-39\">[39]<\/a><\/sup>, a recently introduced rich library of atomic properties from calculations and experiment. In this way, all atomic properties defined in the various sources are available within the toolkit environment.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Example_of_exploratory_analysis:_Clustering\">Example of exploratory analysis: Clustering<\/span><\/h3>\n<p>We now proceed with the discussion of the showcase notebook, which performs an unsupervised learning analysis called \"clustering.\" The evolutionary human ability to recognize patterns in empirical data has led to the most disparate scientific findings, from, e.g., Kepler\u2019s Laws to the Lorenz attractor. However, finding patterns in highly multidimensional data requires automated tools. Here, we would like to understand whether the data retrieved form the NOMAD Archive can be grouped into clusters of data that share a similar representation, where data points within the same cluster are similar to each other while being different from data points belonging to other clusters. The notion of similarity in the discussed unsupervised learning task is strictly related to the representation of the data, here a set of atomic properties of the constituent material.\n<\/p><p>A plethora of different clustering algorithms has been developed in the last few years, each with different ideal applications (see, e.g., our tutorial notebook introducing the most popular clustering algorithms<sup id=\"rdp-ebb-cite_ref-40\" class=\"reference\"><a href=\"#cite_note-40\">[40]<\/a><\/sup>). Among the various algorithms currently available, we chose a recent algorithm, which we will briefly outline below, that stands out for simplicity, quality of the results, and robustness.\n<\/p><p>The clustering algorithm that is employed in this notebook is the hierarchical density-based spatial clustering of applications with noise (HDBSCAN)<sup id=\"rdp-ebb-cite_ref-41\" class=\"reference\"><a href=\"#cite_note-41\">[41]<\/a><\/sup>, a recent extension of the popular DBSCAN algorithm.<sup id=\"rdp-ebb-cite_ref-42\" class=\"reference\"><a href=\"#cite_note-42\">[42]<\/a><\/sup> As density-based algorithms, HDBSCAN relies on the idea that clusters are islands of high-density points separated by a sea of low-density points. The data points in the low-density region are labeled as \"outliers\" and are not associated with any clusters. Outlier identification is at the core of the HDBSCAN algorithm, which uses the mutual reachability distance, i.e., a specific distance metric to distort the space so as to \u201cpush\u201d outliers away from the high-density regions.\n<\/p><p>Cluster definition is to some extent subtle, as many possible different combinations are acceptable. One of the main challenges is represented by nested clusters, where it is not always trivial to decide whether a relatively large cluster should be decomposed into more subclusters, or if instead a unique supercluster should be taken. The HDBSCAN algorithm performs a hierarchical exploration that evaluates possible subdivisions of the data into clusters. Initially, for low values of the distance threshold, there is only one large cluster that includes all points. As the threshold is lowered, the cluster can eventually split into smaller subclusters. This algorithm automatically decides whether to split the supercluster, and this decision is based on how robust\u2014with respect to further divisions\u2014the new subclusters would be. If, for example, after a cluster division many other splittings would shortly follow while lowering the threshold distance, then the larger supercluster is taken; if, otherwise, the subclusters do not immediately face further subdivisions, they are selected instead of the large supercluster.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Dimension_reduction:_the_Visualizer\">Dimension reduction: the Visualizer<\/span><\/h3>\n<p>The NOMAD AI Toolkit also comes with Visualizer, a package which allows a straightforward analysis of tabulated data that contain materials structures, and which is optimized for data retrieved from the NOMAD Archive. Visualizer is built using the PLOTLY package<sup id=\"rdp-ebb-cite_ref-43\" class=\"reference\"><a href=\"#cite_note-43\">[43]<\/a><\/sup>, which allows the creation of an interactive map, whose usability is improved using ipywidgets. An example is shown in Fig. 2. The map shows with distinct colors different clusters of materials, that were embedded into a two-dimensional plane using the dimension reduction algorithm t-SNE.<sup id=\"rdp-ebb-cite_ref-44\" class=\"reference\"><a href=\"#cite_note-44\">[44]<\/a><\/sup> We would like to remark that axes in this embedding do not have a meaning and cannot be expressed as a global function of the features spanning the original space. This embedding algorithm, as many nonlinear embedding algorithms, finds a low dimensional representation where pairwise distances between data points are preserved, which makes it possible to visualize clusters of points in a two-dimensional plot.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Sbail%C3%B2_npjCompMat22_8.png\" class=\"image wiki-link\" data-key=\"5ade0e7586045d10735de34cac9f1b19\"><img alt=\"Fig2 Sbail\u00f2 npjCompMat22 8.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/c5\/Fig2_Sbail%C3%B2_npjCompMat22_8.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> Snapshot of Visualizer in the \"Querying the Archive and performing artificial intelligence modeling\u2019 notebook. The visualization of a two-dimensional map allows to identify subsets (in AI nomenclature: clusters) of materials with similar properties. Two windows at the bottom of the map allow viewing the structures of the compounds in the map. Clicking a point shows the structure of the selected material. Ticking the box on top of the windows selects which one of the two windows is used for the next visualization. The two windows have different types of symbols (here, crosses) to mark the position on the map. It is also possible to display a specific material chosen from the \"Compound\" text box to show its structure and its position on the map, which is then labeled with a cross. In this figure, two compounds are visualized, and it is possible to spot the position of the materials on the map.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Clicking on any of the points in the map displays the atomic structure of the material in one of the windows at the bottom of the map. The position of the compound that is displayed is marked with a cross on the map. There are two different display windows to facilitate the comparison of different structures, and the window for the next visualization is selected with a tick box on top of Visualizer. By clicking \u201cDisplay,\u201d the structure of the material and its position on the map are shown. We also provide some plotting utilities to generate high-quality plots (see Fig. 3). Controls for fine-tuning the printing quality and appearance are displayed by clicking the \u201cFor a high-quality print \u2026\u201d button.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Sbail%C3%B2_npjCompMat22_8.png\" class=\"image wiki-link\" data-key=\"598db1394123ea3310899d7aef80f55a\"><img alt=\"Fig3 Sbail\u00f2 npjCompMat22 8.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/7f\/Fig3_Sbail%C3%B2_npjCompMat22_8.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 3.<\/b> An example of a high-quality plot that can be produced using Visualizer. The \u201cToggle on\/off plot appearance utils\u201d button displays a number of controls that can be used to modify and generate the plots. It is possible to change resolution, format file, color palette for the markers, text format and size, and markers' size.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Discovering_of_new_topological_insulators:_Application_of_SISSO_to_alloyed_tetradymites\">Discovering of new topological insulators: Application of SISSO to alloyed tetradymites<\/span><\/h3>\n<p>As a second, complementary example, we discuss a notebook that addresses an analysis of topological semiconductors.<sup id=\"rdp-ebb-cite_ref-:2_32-1\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup> The employed AI method is SISSO (sure-independent screening combined with sparsifying operator<sup id=\"rdp-ebb-cite_ref-:1_23-1\" class=\"reference\"><a href=\"#cite_note-:1-23\">[23]<\/a><\/sup>), which combines symbolic regression with compressed sensing. In practice, for a given target property of a class of materials, SISSO identifies a low-dimensional descriptor, out of a huge number of candidates (billions, or more). The candidate descriptors, the materials genes, are constructed as algebraic expressions, by combining mathematical operators (e.g., sums, products, exponentials, powers) with basic physical quantities, called primary features. These features are properties of the materials, or their constituents (e.g., the atomic species in the material\u2019s composition), that are (much) easier to evaluate (or measure) than the target properties that are modeled by using the SISSO-selected features as input and with the mathematical relationship identified as well by SISSO. In the work of Cao <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_32-2\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup>, the materials property of interest was the classification between topological vs. trivial insulators.\n<\/p><p>The addressed class of materials was the tetradymites family, i.e., materials with the general chemical formula <i>AB\u2009\u2212\u2009LMN<\/i>, where the cations <i>A<\/i>,\u2009<i>B<\/i>\u2009\u2208\u2009{As, Sb, Bi} and the anions <i>L<\/i>,\u2009<i>M<\/i>,\u2009<i>N<\/i>\u2009\u2208\u2009{S, Se, Te}, and a trigonal (R3m) symmetry. Some of these materials are known to be topological insulators, and the data-driven task was to predict the classification into topological vs. trivial insulators of all possible such materials, just by knowing their formula, by using as training data a set of 152 tetradymites for which the topological invariant <i>Z<\/i><sub>2<\/sub> is calculated via DFT for the optimized geometries.\n<\/p><p>In the notebook \u201cDiscovery of new topological insulators in alloyed tetradymites\u201d<sup id=\"rdp-ebb-cite_ref-:4_45-0\" class=\"reference\"><a href=\"#cite_note-:4-45\">[45]<\/a><\/sup>, we invite the user to interactively reproduce the results of Cao <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_32-3\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup>, namely the materials property map as shown in Fig. 5. The map is obtained within the notebook, after selecting as input settings the same primary features and other SISSO parameters as used for the publication. In Figure 4, we show a snapshot of the input widget, where users can select features, operators, and SISSO parameters according to their preference and test alternative results. When clicking \u201cRun,\u201d the SISSO code is running within the container created for the user at the NOMAD server. In the notebook, the map as shown in Fig. 5 is managed by the same Visualizer for the query-and-analyze notebook. This means that by mouse hovering, the chemical formula of the compound represented by the marker is shown in a tooltip. By clicking a marker, the crystal structure of the corresponding material is shown in a box below the plot.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig4_Sbail%C3%B2_npjCompMat22_8.png\" class=\"image wiki-link\" data-key=\"14d5938c6eb7238e9d737e049fc5cf2d\"><img alt=\"Fig4 Sbail\u00f2 npjCompMat22 8.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/ac\/Fig4_Sbail%C3%B2_npjCompMat22_8.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 4.<\/b> Graphical input interface for the SISSO training of tetradymite-materials classification. The snapshot is taken from the \"Discovery of new topological insulators in alloyed tetradymites\" notebook.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig5_Sbail%C3%B2_npjCompMat22_8.png\" class=\"image wiki-link\" data-key=\"980fb8979dfc8ea29cc91a85b5c85be3\"><img alt=\"Fig5 Sbail\u00f2 npjCompMat22 8.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/3\/31\/Fig5_Sbail%C3%B2_npjCompMat22_8.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 5.<\/b> Interactive map of tetradymite materials, as produced with the AI Toolkit's Visualizer. The topological (trivial) insulator training points are marked in red (blue). All materials falling in the convex hulls delimited by the dashed line enveloping the red (blue) points are predicted to be topological (trivial) insulators. The axes, D1 and D2, are the components of the descriptor identified by SISSO, in terms of analytical function of the selected input parameters (see Cao <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_32-4\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup> and the AI Toolkit notebook<sup id=\"rdp-ebb-cite_ref-:4_45-1\" class=\"reference\"><a href=\"#cite_note-:4-45\">[45]<\/a><\/sup> for more details).<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>In summary, with the notebook \u201cDiscovery of new topological insulators in alloyed tetradymites,\u201d we provide an interactive, complementary support to Cao <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_32-5\" class=\"reference\"><a href=\"#cite_note-:2-32\">[32]<\/a><\/sup>, where the user can reproduce the results of the paper starting with the same input, by using the same code, and by going as far as re-obtaining exactly the same main result plot (except for the different graphical style). More than what can be found in the paper, the user can change the input settings to the SISSO learning, explore the results by changing the visualization settings, and browse the structures of the single data points. The user can also use the notebook as a template and start from other data, retrieved from the NOMAD Archive, to perform an analysis with the same method, etc.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<p>We presented the NOMAD AI Toolkit, a web-browser-based platform for performing AI analysis of materials science data, both online on NOMAD servers and locally on own computational resources, even behind firewalls. The purpose of the AI Toolkit is to provide the tools for exploiting the \"findable and AI-ready\" (F-AIR) materials science data that are contained in the NOMAD Repository & Archive, as well as several other databases in the field. The platform provides integrated access, via Jupyter Notebooks, to state-of-the-art AI methods and concepts. Shallow learning curve hands-on tutorials are provided, in the form of interactive Jupyter Notebooks, for all the available tools. A particular focus is on the reproducibility of AI-based workflows associated with high-profile publications: The AI Toolkit offers a selection of notebooks demonstrating such workflows, so that users can understand step by step what was done in publications and readily modify and adapt the workflows to their own needs. We hope this example could be an inspiration to augment future publications with similar hands-on notebooks. This will allow for enhanced reproducibility of data-driven materials science papers and dampen the learning curve for newcomers to the field. The community is invited to contribute more notebooks in order to share cutting-edge knowledge in an efficient and scientifically robust way.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>We would like to acknowledge Fawzi Mohammed, Angelo Ziletti, Markus Scheidgen, and Lauri Himanen for inspiring discussions. This work received funding from the European Union\u2019s Horizon 2020 research and innovation program under the grant agreement No. 951786 (NOMAD CoE), the ERC Advanced Grant TEC1P (No. 740233), and the German Research Foundation (DFG) through the NFDI consortium \u201cFAIRmat\u201d, project 460197019.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>L.M.G. and M.S. initiated and supervised the project. L.S. and A.F. implemented the web-based version of the Toolkit. L.S. implemented the local-app version of the AI Toolkit and coded the notebooks discussed in this paper. L.S. and L.M.G. wrote the initial version of the manuscript. All authors contributed to the final version of the manuscript.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>Open Access funding enabled and organized by Projekt DEAL.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Data_and_code_availability\">Data and code availability<\/span><\/h3>\n<p>Data and code used in this study are openly accessible on the NOMAD AI Toolkit at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitoolkit\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitoolkit<\/a>. See Sbail\u00f2 <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:3_37-2\" class=\"reference\"><a href=\"#cite_note-:3-37\">[37]<\/a><\/sup> and Sbail\u00f2 <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:4_45-2\" class=\"reference\"><a href=\"#cite_note-:4-45\">[45]<\/a><\/sup> for the code (in notebook form) of the specific examples discussed in this paper.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>The authors declare no competing interests.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wilkinson, Mark D.; 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Scheffler, Matthias (1 September 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1557\/mrs.2018.208\" target=\"_blank\">\"NOMAD: The FAIR concept for big data-driven materials science\"<\/a> (in en). <i>MRS Bulletin<\/i> <b>43<\/b> (9): 676\u2013682. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1557%2Fmrs.2018.208\" target=\"_blank\">10.1557\/mrs.2018.208<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0883-7694\" target=\"_blank\">0883-7694<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1557\/mrs.2018.208\" target=\"_blank\">http:\/\/link.springer.com\/10.1557\/mrs.2018.208<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NOMAD%3A+The+FAIR+concept+for+big+data-driven+materials+science&rft.jtitle=MRS+Bulletin&rft.aulast=Draxl&rft.aufirst=Claudia&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=1+September+2018&rft.volume=43&rft.issue=9&rft.pages=676%E2%80%93682&rft_id=info:doi\/10.1557%2Fmrs.2018.208&rft.issn=0883-7694&rft_id=http%3A%2F%2Flink.springer.com%2F10.1557%2Fmrs.2018.208&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-6\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-6\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Draxl, Claudia; 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Scheffler, Matthias (2020), Andreoni, Wanda; Yip, Sidney, eds., <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-44677-6_104\" target=\"_blank\">\"Big Data-Driven Materials Science and Its FAIR Data Infrastructure\"<\/a> (in en), <i>Handbook of Materials Modeling<\/i> (Cham: Springer International Publishing): 49\u201373, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-3-319-44677-6_104\" target=\"_blank\">10.1007\/978-3-319-44677-6_104<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-319-44676-9<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-44677-6_104\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/978-3-319-44677-6_104<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-11-20<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Big+Data-Driven+Materials+Science+and+Its+FAIR+Data+Infrastructure&rft.jtitle=Handbook+of+Materials+Modeling&rft.aulast=Draxl&rft.aufirst=Claudia&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=2020&rft.pages=49%E2%80%9373&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-319-44677-6_104&rft.isbn=978-3-319-44676-9&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-319-44677-6_104&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-8\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_8-0\">8.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_8-1\">8.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ghiringhelli, Luca M.; Carbogno, Christian; Levchenko, Sergey; Mohamed, Fawzi; Huhs, Georg; L\u00fcders, Martin; Oliveira, Micael; Scheffler, Matthias (6 November 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0048-5\" target=\"_blank\">\"Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>3<\/b> (1): 46. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-017-0048-5\" target=\"_blank\">10.1038\/s41524-017-0048-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0048-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-017-0048-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Towards+efficient+data+exchange+and+sharing+for+big-data+driven+materials+science%3A+metadata+and+data+formats&rft.jtitle=npj+Computational+Materials&rft.aulast=Ghiringhelli&rft.aufirst=Luca+M.&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.au=Carbogno%2C%26%2332%3BChristian&rft.au=Levchenko%2C%26%2332%3BSergey&rft.au=Mohamed%2C%26%2332%3BFawzi&rft.au=Huhs%2C%26%2332%3BGeorg&rft.au=L%C3%BCders%2C%26%2332%3BMartin&rft.au=Oliveira%2C%26%2332%3BMicael&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=6+November+2017&rft.volume=3&rft.issue=1&rft.pages=46&rft_id=info:doi\/10.1038%2Fs41524-017-0048-5&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-017-0048-5&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Blaiszik, B.; Chard, K.; Pruyne, J.; Ananthakrishnan, R.; Tuecke, S.; Foster, I. (1 August 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s11837-016-2001-3\" target=\"_blank\">\"The Materials Data Facility: Data Services to Advance Materials Science Research\"<\/a> (in en). <i>JOM<\/i> <b>68<\/b> (8): 2045\u20132052. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs11837-016-2001-3\" target=\"_blank\">10.1007\/s11837-016-2001-3<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1047-4838\" target=\"_blank\">1047-4838<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s11837-016-2001-3\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s11837-016-2001-3<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Materials+Data+Facility%3A+Data+Services+to+Advance+Materials+Science+Research&rft.jtitle=JOM&rft.aulast=Blaiszik&rft.aufirst=B.&rft.au=Blaiszik%2C%26%2332%3BB.&rft.au=Chard%2C%26%2332%3BK.&rft.au=Pruyne%2C%26%2332%3BJ.&rft.au=Ananthakrishnan%2C%26%2332%3BR.&rft.au=Tuecke%2C%26%2332%3BS.&rft.au=Foster%2C%26%2332%3BI.&rft.date=1+August+2016&rft.volume=68&rft.issue=8&rft.pages=2045%E2%80%932052&rft_id=info:doi\/10.1007%2Fs11837-016-2001-3&rft.issn=1047-4838&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs11837-016-2001-3&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Blaiszik, Ben; Ward, Logan; Schwarting, Marcus; Gaff, Jonathon; Chard, Ryan; Pike, Daniel; Chard, Kyle; Foster, Ian (1 December 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1557\/mrc.2019.118\" target=\"_blank\">\"A data ecosystem to support machine learning in materials science\"<\/a> (in en). <i>MRS Communications<\/i> <b>9<\/b> (4): 1125\u20131133. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1557%2Fmrc.2019.118\" target=\"_blank\">10.1557\/mrc.2019.118<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2159-6859\" target=\"_blank\">2159-6859<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1557\/mrc.2019.118\" target=\"_blank\">http:\/\/link.springer.com\/10.1557\/mrc.2019.118<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+data+ecosystem+to+support+machine+learning+in+materials+science&rft.jtitle=MRS+Communications&rft.aulast=Blaiszik&rft.aufirst=Ben&rft.au=Blaiszik%2C%26%2332%3BBen&rft.au=Ward%2C%26%2332%3BLogan&rft.au=Schwarting%2C%26%2332%3BMarcus&rft.au=Gaff%2C%26%2332%3BJonathon&rft.au=Chard%2C%26%2332%3BRyan&rft.au=Pike%2C%26%2332%3BDaniel&rft.au=Chard%2C%26%2332%3BKyle&rft.au=Foster%2C%26%2332%3BIan&rft.date=1+December+2019&rft.volume=9&rft.issue=4&rft.pages=1125%E2%80%931133&rft_id=info:doi\/10.1557%2Fmrc.2019.118&rft.issn=2159-6859&rft_id=http%3A%2F%2Flink.springer.com%2F10.1557%2Fmrc.2019.118&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Talirz, Leopold; Kumbhar, Snehal; Passaro, Elsa; Yakutovich, Aliaksandr V.; Granata, Valeria; Gargiulo, Fernando; Borelli, Marco; Uhrin, Martin <i>et al.<\/i> (8 September 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00637-5\" target=\"_blank\">\"Materials Cloud, a platform for open computational science\"<\/a> (in en). <i>Scientific Data<\/i> <b>7<\/b> (1): 299. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41597-020-00637-5\" target=\"_blank\">10.1038\/s41597-020-00637-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7479138\/\" target=\"_blank\">PMC7479138<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32901046\" target=\"_blank\">32901046<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00637-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41597-020-00637-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Materials+Cloud%2C+a+platform+for+open+computational+science&rft.jtitle=Scientific+Data&rft.aulast=Talirz&rft.aufirst=Leopold&rft.au=Talirz%2C%26%2332%3BLeopold&rft.au=Kumbhar%2C%26%2332%3BSnehal&rft.au=Passaro%2C%26%2332%3BElsa&rft.au=Yakutovich%2C%26%2332%3BAliaksandr+V.&rft.au=Granata%2C%26%2332%3BValeria&rft.au=Gargiulo%2C%26%2332%3BFernando&rft.au=Borelli%2C%26%2332%3BMarco&rft.au=Uhrin%2C%26%2332%3BMartin&rft.au=Huber%2C%26%2332%3BSebastiaan+P.&rft.date=8+September+2020&rft.volume=7&rft.issue=1&rft.pages=299&rft_id=info:doi\/10.1038%2Fs41597-020-00637-5&rft.issn=2052-4463&rft_id=info:pmc\/PMC7479138&rft_id=info:pmid\/32901046&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41597-020-00637-5&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/zenodo.org\/\" target=\"_blank\">\"Zenodo\"<\/a>. CERN. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/zenodo.org\/\" target=\"_blank\">https:\/\/zenodo.org\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Zenodo&rft.atitle=&rft.date=2022&rft.pub=CERN&rft_id=https%3A%2F%2Fzenodo.org%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lorenz, S\u00f6nke; Gro\u00df, Axel; Scheffler, Matthias (1 September 2004). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S000926140401125X\" target=\"_blank\">\"Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks\"<\/a> (in en). <i>Chemical Physics Letters<\/i> <b>395<\/b> (4-6): 210\u2013215. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cplett.2004.07.076\" target=\"_blank\">10.1016\/j.cplett.2004.07.076<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S000926140401125X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S000926140401125X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Representing+high-dimensional+potential-energy+surfaces+for+reactions+at+surfaces+by+neural+networks&rft.jtitle=Chemical+Physics+Letters&rft.aulast=Lorenz&rft.aufirst=S%C3%B6nke&rft.au=Lorenz%2C%26%2332%3BS%C3%B6nke&rft.au=Gro%C3%9F%2C%26%2332%3BAxel&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=1+September+2004&rft.volume=395&rft.issue=4-6&rft.pages=210%E2%80%93215&rft_id=info:doi\/10.1016%2Fj.cplett.2004.07.076&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS000926140401125X&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Behler, J\u00f6rg; Parrinello, Michele (2 April 2007). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.98.146401\" target=\"_blank\">\"Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>98<\/b> (14): 146401. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.98.146401\" target=\"_blank\">10.1103\/PhysRevLett.98.146401<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.98.146401\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.98.146401<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Generalized+Neural-Network+Representation+of+High-Dimensional+Potential-Energy+Surfaces&rft.jtitle=Physical+Review+Letters&rft.aulast=Behler&rft.aufirst=J%C3%B6rg&rft.au=Behler%2C%26%2332%3BJ%C3%B6rg&rft.au=Parrinello%2C%26%2332%3BMichele&rft.date=2+April+2007&rft.volume=98&rft.issue=14&rft.pages=146401&rft_id=info:doi\/10.1103%2FPhysRevLett.98.146401&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.98.146401&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bart\u00f3k, Albert P.; Payne, Mike C.; Kondor, Risi; Cs\u00e1nyi, G\u00e1bor (1 April 2010). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.104.136403\" target=\"_blank\">\"Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>104<\/b> (13): 136403. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.104.136403\" target=\"_blank\">10.1103\/PhysRevLett.104.136403<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.104.136403\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.104.136403<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Gaussian+Approximation+Potentials%3A+The+Accuracy+of+Quantum+Mechanics%2C+without+the+Electrons&rft.jtitle=Physical+Review+Letters&rft.aulast=Bart%C3%B3k&rft.aufirst=Albert+P.&rft.au=Bart%C3%B3k%2C%26%2332%3BAlbert+P.&rft.au=Payne%2C%26%2332%3BMike+C.&rft.au=Kondor%2C%26%2332%3BRisi&rft.au=Cs%C3%A1nyi%2C%26%2332%3BG%C3%A1bor&rft.date=1+April+2010&rft.volume=104&rft.issue=13&rft.pages=136403&rft_id=info:doi\/10.1103%2FPhysRevLett.104.136403&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.104.136403&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bart\u00f3k, Albert P.; Kondor, Risi; Cs\u00e1nyi, G\u00e1bor (28 May 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.87.184115\" target=\"_blank\">\"On representing chemical environments\"<\/a> (in en). <i>Physical Review B<\/i> <b>87<\/b> (18): 184115. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevB.87.184115\" target=\"_blank\">10.1103\/PhysRevB.87.184115<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1098-0121\" target=\"_blank\">1098-0121<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.87.184115\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.87.184115<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=On+representing+chemical+environments&rft.jtitle=Physical+Review+B&rft.aulast=Bart%C3%B3k&rft.aufirst=Albert+P.&rft.au=Bart%C3%B3k%2C%26%2332%3BAlbert+P.&rft.au=Kondor%2C%26%2332%3BRisi&rft.au=Cs%C3%A1nyi%2C%26%2332%3BG%C3%A1bor&rft.date=28+May+2013&rft.volume=87&rft.issue=18&rft.pages=184115&rft_id=info:doi\/10.1103%2FPhysRevB.87.184115&rft.issn=1098-0121&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevB.87.184115&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sch\u00fctt, Kristof T.; Arbabzadah, Farhad; Chmiela, Stefan; M\u00fcller, Klaus R.; Tkatchenko, Alexandre (9 January 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/ncomms13890\" target=\"_blank\">\"Quantum-chemical insights from deep tensor neural networks\"<\/a> (in en). <i>Nature Communications<\/i> <b>8<\/b> (1): 13890. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fncomms13890\" target=\"_blank\">10.1038\/ncomms13890<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2041-1723\" target=\"_blank\">2041-1723<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5228054\/\" target=\"_blank\">PMC5228054<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/28067221\" target=\"_blank\">28067221<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/ncomms13890\" target=\"_blank\">https:\/\/www.nature.com\/articles\/ncomms13890<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Quantum-chemical+insights+from+deep+tensor+neural+networks&rft.jtitle=Nature+Communications&rft.aulast=Sch%C3%BCtt&rft.aufirst=Kristof+T.&rft.au=Sch%C3%BCtt%2C%26%2332%3BKristof+T.&rft.au=Arbabzadah%2C%26%2332%3BFarhad&rft.au=Chmiela%2C%26%2332%3BStefan&rft.au=M%C3%BCller%2C%26%2332%3BKlaus+R.&rft.au=Tkatchenko%2C%26%2332%3BAlexandre&rft.date=9+January+2017&rft.volume=8&rft.issue=1&rft.pages=13890&rft_id=info:doi\/10.1038%2Fncomms13890&rft.issn=2041-1723&rft_id=info:pmc\/PMC5228054&rft_id=info:pmid\/28067221&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fncomms13890&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Xie, Tian; Grossman, Jeffrey C. (6 April 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.120.145301\" target=\"_blank\">\"Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>120<\/b> (14): 145301. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.120.145301\" target=\"_blank\">10.1103\/PhysRevLett.120.145301<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.120.145301\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.120.145301<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Crystal+Graph+Convolutional+Neural+Networks+for+an+Accurate+and+Interpretable+Prediction+of+Material+Properties&rft.jtitle=Physical+Review+Letters&rft.aulast=Xie&rft.aufirst=Tian&rft.au=Xie%2C%26%2332%3BTian&rft.au=Grossman%2C%26%2332%3BJeffrey+C.&rft.date=6+April+2018&rft.volume=120&rft.issue=14&rft.pages=145301&rft_id=info:doi\/10.1103%2FPhysRevLett.120.145301&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.120.145301&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rajan, Krishna (1 October 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1369702105711238\" target=\"_blank\">\"Materials informatics\"<\/a> (in en). <i>Materials Today<\/i> <b>8<\/b> (10): 38\u201345. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2FS1369-7021%2805%2971123-8\" target=\"_blank\">10.1016\/S1369-7021(05)71123-8<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1369702105711238\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1369702105711238<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Materials+informatics&rft.jtitle=Materials+Today&rft.aulast=Rajan&rft.aufirst=Krishna&rft.au=Rajan%2C%26%2332%3BKrishna&rft.date=1+October+2005&rft.volume=8&rft.issue=10&rft.pages=38%E2%80%9345&rft_id=info:doi\/10.1016%2FS1369-7021%2805%2971123-8&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1369702105711238&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pilania, Ghanshyam; Wang, Chenchen; Jiang, Xun; Rajasekaran, Sanguthevar; Ramprasad, Ramamurthy (30 September 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/srep02810\" target=\"_blank\">\"Accelerating materials property predictions using machine learning\"<\/a> (in en). <i>Scientific Reports<\/i> <b>3<\/b> (1): 2810. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fsrep02810\" target=\"_blank\">10.1038\/srep02810<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2045-2322\" target=\"_blank\">2045-2322<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3786293\/\" target=\"_blank\">PMC3786293<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/24077117\" target=\"_blank\">24077117<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/srep02810\" target=\"_blank\">https:\/\/www.nature.com\/articles\/srep02810<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accelerating+materials+property+predictions+using+machine+learning&rft.jtitle=Scientific+Reports&rft.aulast=Pilania&rft.aufirst=Ghanshyam&rft.au=Pilania%2C%26%2332%3BGhanshyam&rft.au=Wang%2C%26%2332%3BChenchen&rft.au=Jiang%2C%26%2332%3BXun&rft.au=Rajasekaran%2C%26%2332%3BSanguthevar&rft.au=Ramprasad%2C%26%2332%3BRamamurthy&rft.date=30+September+2013&rft.volume=3&rft.issue=1&rft.pages=2810&rft_id=info:doi\/10.1038%2Fsrep02810&rft.issn=2045-2322&rft_id=info:pmc\/PMC3786293&rft_id=info:pmid\/24077117&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fsrep02810&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-21\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-21\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ghiringhelli, Luca M.; Vybiral, Jan; Levchenko, Sergey V.; Draxl, Claudia; Scheffler, Matthias (10 March 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.114.105503\" target=\"_blank\">\"Big Data of Materials Science: Critical Role of the Descriptor\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>114<\/b> (10): 105503. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.114.105503\" target=\"_blank\">10.1103\/PhysRevLett.114.105503<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.114.105503\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.114.105503<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Big+Data+of+Materials+Science%3A+Critical+Role+of+the+Descriptor&rft.jtitle=Physical+Review+Letters&rft.aulast=Ghiringhelli&rft.aufirst=Luca+M.&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.au=Vybiral%2C%26%2332%3BJan&rft.au=Levchenko%2C%26%2332%3BSergey+V.&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=10+March+2015&rft.volume=114&rft.issue=10&rft.pages=105503&rft_id=info:doi\/10.1103%2FPhysRevLett.114.105503&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.114.105503&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Isayev, Olexandr; Fourches, Denis; Muratov, Eugene N.; Oses, Corey; Rasch, Kevin; Tropsha, Alexander; Curtarolo, Stefano (10 February 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/cm503507h\" target=\"_blank\">\"Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints\"<\/a> (in en). <i>Chemistry of Materials<\/i> <b>27<\/b> (3): 735\u2013743. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Fcm503507h\" target=\"_blank\">10.1021\/cm503507h<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-4756\" target=\"_blank\">0897-4756<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/cm503507h\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/cm503507h<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Materials+Cartography%3A+Representing+and+Mining+Materials+Space+Using+Structural+and+Electronic+Fingerprints&rft.jtitle=Chemistry+of+Materials&rft.aulast=Isayev&rft.aufirst=Olexandr&rft.au=Isayev%2C%26%2332%3BOlexandr&rft.au=Fourches%2C%26%2332%3BDenis&rft.au=Muratov%2C%26%2332%3BEugene+N.&rft.au=Oses%2C%26%2332%3BCorey&rft.au=Rasch%2C%26%2332%3BKevin&rft.au=Tropsha%2C%26%2332%3BAlexander&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.date=10+February+2015&rft.volume=27&rft.issue=3&rft.pages=735%E2%80%93743&rft_id=info:doi\/10.1021%2Fcm503507h&rft.issn=0897-4756&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Fcm503507h&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-23\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_23-0\">23.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_23-1\">23.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ouyang, Runhai; Curtarolo, Stefano; Ahmetcik, Emre; Scheffler, Matthias; Ghiringhelli, Luca M. (7 August 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.2.083802\" target=\"_blank\">\"SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates\"<\/a> (in en). <i>Physical Review Materials<\/i> <b>2<\/b> (8): 083802. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevMaterials.2.083802\" target=\"_blank\">10.1103\/PhysRevMaterials.2.083802<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9953\" target=\"_blank\">2475-9953<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.2.083802\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.2.083802<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=SISSO%3A+A+compressed-sensing+method+for+identifying+the+best+low-dimensional+descriptor+in+an+immensity+of+offered+candidates&rft.jtitle=Physical+Review+Materials&rft.aulast=Ouyang&rft.aufirst=Runhai&rft.au=Ouyang%2C%26%2332%3BRunhai&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.au=Ahmetcik%2C%26%2332%3BEmre&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.date=7+August+2018&rft.volume=2&rft.issue=8&rft.pages=083802&rft_id=info:doi\/10.1103%2FPhysRevMaterials.2.083802&rft.issn=2475-9953&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevMaterials.2.083802&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Jha, Dipendra; 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Austin, Texas. pp. 113\u2013120. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.25080%2FMajora-4af1f417-011\" target=\"_blank\">10.25080\/Majora-4af1f417-011<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/conference.scipy.org\/proceedings\/scipy2018\/project_jupyter.html\" target=\"_blank\">https:\/\/conference.scipy.org\/proceedings\/scipy2018\/project_jupyter.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Binder+2.0+-+Reproducible%2C+interactive%2C+sharable+environments+for+science+at+scale&rft.aulast=Jupyter&rft.aufirst=Project&rft.au=Jupyter%2C%26%2332%3BProject&rft.au=Bussonnier%2C%26%2332%3BMatthias&rft.au=Forde%2C%26%2332%3BJessica&rft.au=Freeman%2C%26%2332%3BJeremy&rft.au=Granger%2C%26%2332%3BBrian&rft.au=Head%2C%26%2332%3BTim&rft.au=Holdgraf%2C%26%2332%3BChris&rft.au=Kelley%2C%26%2332%3BKyle&rft.au=Nalvarte%2C%26%2332%3BGladys&rft.date=2018&rft.pages=pp.+113%E2%80%93120&rft.place=Austin%2C+Texas&rft_id=info:doi\/10.25080%2FMajora-4af1f417-011&rft_id=https%3A%2F%2Fconference.scipy.org%2Fproceedings%2Fscipy2018%2Fproject_jupyter.html&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-27\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/colab.research.google.com\/\" target=\"_blank\">\"Welcome to Colaboratory\"<\/a>. Google. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/colab.research.google.com\/\" target=\"_blank\">https:\/\/colab.research.google.com\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Welcome+to+Colaboratory&rft.atitle=&rft.date=2022&rft.pub=Google&rft_id=https%3A%2F%2Fcolab.research.google.com%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-28\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-28\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Klimeck, Gerhard; McLennan, Michael; Brophy, Sean P.; Adams III, George B.; Lundstrom, Mark S. (1 September 2008). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ieeexplore.ieee.org\/document\/4604500\/\" target=\"_blank\">\"nanoHUB.org: Advancing Education and Research in Nanotechnology\"<\/a>. <i>Computing in Science & Engineering<\/i> <b>10<\/b> (5): 17\u201323. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1109%2FMCSE.2008.120\" target=\"_blank\">10.1109\/MCSE.2008.120<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1521-9615\" target=\"_blank\">1521-9615<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/ieeexplore.ieee.org\/document\/4604500\/\" target=\"_blank\">http:\/\/ieeexplore.ieee.org\/document\/4604500\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=nanoHUB.org%3A+Advancing+Education+and+Research+in+Nanotechnology&rft.jtitle=Computing+in+Science+%26+Engineering&rft.aulast=Klimeck&rft.aufirst=Gerhard&rft.au=Klimeck%2C%26%2332%3BGerhard&rft.au=McLennan%2C%26%2332%3BMichael&rft.au=Brophy%2C%26%2332%3BSean+P.&rft.au=Adams+III%2C%26%2332%3BGeorge+B.&rft.au=Lundstrom%2C%26%2332%3BMark+S.&rft.date=1+September+2008&rft.volume=10&rft.issue=5&rft.pages=17%E2%80%9323&rft_id=info:doi\/10.1109%2FMCSE.2008.120&rft.issn=1521-9615&rft_id=http%3A%2F%2Fieeexplore.ieee.org%2Fdocument%2F4604500%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-29\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-29\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Janssen, Jan; Surendralal, Sudarsan; Lysogorskiy, Yury; Todorova, Mira; Hickel, Tilmann; Drautz, Ralf; Neugebauer, J\u00f6rg (1 June 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025618304786\" target=\"_blank\">\"pyiron: An integrated development environment for computational materials science\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>163<\/b>: 24\u201336. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2018.07.043\" target=\"_blank\">10.1016\/j.commatsci.2018.07.043<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025618304786\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025618304786<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=pyiron%3A+An+integrated+development+environment+for+computational+materials+science&rft.jtitle=Computational+Materials+Science&rft.aulast=Janssen&rft.aufirst=Jan&rft.au=Janssen%2C%26%2332%3BJan&rft.au=Surendralal%2C%26%2332%3BSudarsan&rft.au=Lysogorskiy%2C%26%2332%3BYury&rft.au=Todorova%2C%26%2332%3BMira&rft.au=Hickel%2C%26%2332%3BTilmann&rft.au=Drautz%2C%26%2332%3BRalf&rft.au=Neugebauer%2C%26%2332%3BJ%C3%B6rg&rft.date=1+June+2019&rft.volume=163&rft.pages=24%E2%80%9336&rft_id=info:doi\/10.1016%2Fj.commatsci.2018.07.043&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025618304786&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-30\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-30\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Yakutovich, Aliaksandr V.; 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Wang, Qi; Ganose, Alex; Dopp, Daniel; Jain, Anubhav (15 September 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-00406-3\" target=\"_blank\">\"Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>6<\/b> (1): 138. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-020-00406-3\" target=\"_blank\">10.1038\/s41524-020-00406-3<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-00406-3\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-020-00406-3<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Benchmarking+materials+property+prediction+methods%3A+the+Matbench+test+set+and+Automatminer+reference+algorithm&rft.jtitle=npj+Computational+Materials&rft.aulast=Dunn&rft.aufirst=Alexander&rft.au=Dunn%2C%26%2332%3BAlexander&rft.au=Wang%2C%26%2332%3BQi&rft.au=Ganose%2C%26%2332%3BAlex&rft.au=Dopp%2C%26%2332%3BDaniel&rft.au=Jain%2C%26%2332%3BAnubhav&rft.date=15+September+2020&rft.volume=6&rft.issue=1&rft.pages=138&rft_id=info:doi\/10.1038%2Fs41524-020-00406-3&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-020-00406-3&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-32\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_32-0\">32.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_32-1\">32.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_32-2\">32.2<\/a><\/sup> <sup><a href=\"#cite_ref-:2_32-3\">32.3<\/a><\/sup> <sup><a href=\"#cite_ref-:2_32-4\">32.4<\/a><\/sup> <sup><a href=\"#cite_ref-:2_32-5\">32.5<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cao, Guohua; Ouyang, Runhai; Ghiringhelli, Luca M.; Scheffler, Matthias; Liu, Huijun; Carbogno, Christian; Zhang, Zhenyu (23 March 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.4.034204\" target=\"_blank\">\"Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites\"<\/a> (in en). <i>Physical Review Materials<\/i> <b>4<\/b> (3): 034204. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevMaterials.4.034204\" target=\"_blank\">10.1103\/PhysRevMaterials.4.034204<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9953\" target=\"_blank\">2475-9953<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.4.034204\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.4.034204<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Artificial+intelligence+for+high-throughput+discovery+of+topological+insulators%3A+The+example+of+alloyed+tetradymites&rft.jtitle=Physical+Review+Materials&rft.aulast=Cao&rft.aufirst=Guohua&rft.au=Cao%2C%26%2332%3BGuohua&rft.au=Ouyang%2C%26%2332%3BRunhai&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.au=Liu%2C%26%2332%3BHuijun&rft.au=Carbogno%2C%26%2332%3BChristian&rft.au=Zhang%2C%26%2332%3BZhenyu&rft.date=23+March+2020&rft.volume=4&rft.issue=3&rft.pages=034204&rft_id=info:doi\/10.1103%2FPhysRevMaterials.4.034204&rft.issn=2475-9953&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevMaterials.4.034204&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-33\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-33\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.docker.com\/\" target=\"_blank\">\"Docker\"<\/a>. Docker, Inc. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.docker.com\/\" target=\"_blank\">https:\/\/www.docker.com\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Docker&rft.atitle=&rft.date=2022&rft.pub=Docker%2C+Inc&rft_id=https%3A%2F%2Fwww.docker.com%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-34\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-34\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jupyter.org\/hub\" target=\"_blank\">\"JupyterHub\"<\/a>. Jupyter Software Steering Council. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jupyter.org\/hub\" target=\"_blank\">https:\/\/jupyter.org\/hub<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=JupyterHub&rft.atitle=&rft.date=2022&rft.pub=Jupyter+Software+Steering+Council&rft_id=https%3A%2F%2Fjupyter.org%2Fhub&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-35\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-35\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/aitoolkit-app\" target=\"_blank\">\"NOMAD AI-Toolkit App\"<\/a>. NOMAD Laboratory. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/aitoolkit-app\" target=\"_blank\">https:\/\/gitlab.mpcdf.mpg.de\/nomad-lab\/aitoolkit-app<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=NOMAD+AI-Toolkit+App&rft.atitle=&rft.date=2022&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fgitlab.mpcdf.mpg.de%2Fnomad-lab%2Faitoolkit-app&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-36\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-36\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/nomad-lab.eu\/prod\/v1\/docs\/oasis\/install.html\" target=\"_blank\">\"Operating an OASIS\"<\/a>. <i>NOMAD Documentation<\/i>. NOMAD Laboratory. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/prod\/v1\/docs\/oasis\/install.html\" target=\"_blank\">https:\/\/nomad-lab.eu\/prod\/v1\/docs\/oasis\/install.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Operating+an+OASIS&rft.atitle=NOMAD+Documentation&rft.date=2022&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fnomad-lab.eu%2Fprod%2Fv1%2Fdocs%2Foasis%2Finstall.html&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-37\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_37-0\">37.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_37-1\">37.1<\/a><\/sup> <sup><a href=\"#cite_ref-:3_37-2\">37.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Sbail\u00f2, L.; Scheffler, M.; Ghiringhelli, L.M. (14 April 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/query_nomad_archive\" target=\"_blank\">\"query_nomad_archive\"<\/a>. NOMAD Laboratory<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/query_nomad_archive\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitutorials\/query_nomad_archive<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=query_nomad_archive&rft.atitle=&rft.aulast=Sbail%C3%B2%2C+L.%3B+Scheffler%2C+M.%3B+Ghiringhelli%2C+L.M.&rft.au=Sbail%C3%B2%2C+L.%3B+Scheffler%2C+M.%3B+Ghiringhelli%2C+L.M.&rft.date=14+April+2021&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fnomad-lab.eu%2Faitutorials%2Fquery_nomad_archive&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-38\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-38\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ghiringhelli, Luca M.; 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M. (21 January 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/clustering_tutorial\" target=\"_blank\">\"clustering_tutorial\"<\/a>. NOMAD Laboratory<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/clustering_tutorial\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitutorials\/clustering_tutorial<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=clustering_tutorial&rft.atitle=&rft.aulast=Sbail%C3%B2%2C+L.%3B+Ghiringhelli%2C+L.+M.&rft.au=Sbail%C3%B2%2C+L.%3B+Ghiringhelli%2C+L.+M.&rft.date=21+January+2021&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fnomad-lab.eu%2Faitutorials%2Fclustering_tutorial&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-41\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-41\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McInnes, Leland; Healy, John; Astels, Steve (21 March 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00205\" target=\"_blank\">\"hdbscan: Hierarchical density based clustering\"<\/a>. <i>The Journal of Open Source Software<\/i> <b>2<\/b> (11): 205. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21105%2Fjoss.00205\" target=\"_blank\">10.21105\/joss.00205<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9066\" target=\"_blank\">2475-9066<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00205\" target=\"_blank\">http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00205<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=hdbscan%3A+Hierarchical+density+based+clustering&rft.jtitle=The+Journal+of+Open+Source+Software&rft.aulast=McInnes&rft.aufirst=Leland&rft.au=McInnes%2C%26%2332%3BLeland&rft.au=Healy%2C%26%2332%3BJohn&rft.au=Astels%2C%26%2332%3BSteve&rft.date=21+March+2017&rft.volume=2&rft.issue=11&rft.pages=205&rft_id=info:doi\/10.21105%2Fjoss.00205&rft.issn=2475-9066&rft_id=http%3A%2F%2Fjoss.theoj.org%2Fpapers%2F10.21105%2Fjoss.00205&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-42\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-42\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ester, M.; Kriegel, H.-P.; Sander, J. (1996). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/dl.acm.org\/doi\/10.5555\/3001460.3001507\" target=\"_blank\">\"A Density-Based Algorithm for Discovering Clusters in Large Spatial Databases with Noise\"<\/a>. <i>Proceedings of the Second International Conference on Knowledge Discovery and Data Mining<\/i>: 226\u201331. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5555%2F3001460.3001507\" target=\"_blank\">10.5555\/3001460.3001507<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/dl.acm.org\/doi\/10.5555\/3001460.3001507\" target=\"_blank\">https:\/\/dl.acm.org\/doi\/10.5555\/3001460.3001507<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Density-Based+Algorithm+for+Discovering+Clusters+in+Large+Spatial+Databases+with+Noise&rft.jtitle=Proceedings+of+the+Second+International+Conference+on+Knowledge+Discovery+and+Data+Mining&rft.aulast=Ester%2C+M.%3B+Kriegel%2C+H.-P.%3B+Sander%2C+J.&rft.au=Ester%2C+M.%3B+Kriegel%2C+H.-P.%3B+Sander%2C+J.&rft.date=1996&rft.pages=226%E2%80%9331&rft_id=info:doi\/10.5555%2F3001460.3001507&rft_id=https%3A%2F%2Fdl.acm.org%2Fdoi%2F10.5555%2F3001460.3001507&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-43\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-43\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/plotly.com\/\" target=\"_blank\">\"Plotly\"<\/a>. Plotly Technologies, Inc. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/plotly.com\/\" target=\"_blank\">https:\/\/plotly.com\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Plotly&rft.atitle=&rft.date=2022&rft.pub=Plotly+Technologies%2C+Inc&rft_id=https%3A%2F%2Fplotly.com%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-44\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-44\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">van der Maaten, L.; Hinton, G. (2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmlr.org\/papers\/v9\/vandermaaten08a.html\" target=\"_blank\">\"Visualizing Data using t-SNE\"<\/a>. <i>Journal of Machine Learning Research<\/i> <b>9<\/b> (86): 2579\u22122605<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jmlr.org\/papers\/v9\/vandermaaten08a.html\" target=\"_blank\">https:\/\/jmlr.org\/papers\/v9\/vandermaaten08a.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Visualizing+Data+using+t-SNE&rft.jtitle=Journal+of+Machine+Learning+Research&rft.aulast=van+der+Maaten%2C+L.%3B+Hinton%2C+G.&rft.au=van+der+Maaten%2C+L.%3B+Hinton%2C+G.&rft.date=2008&rft.volume=9&rft.issue=86&rft.pages=2579%E2%88%922605&rft_id=https%3A%2F%2Fjmlr.org%2Fpapers%2Fv9%2Fvandermaaten08a.html&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-45\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_45-0\">45.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_45-1\">45.1<\/a><\/sup> <sup><a href=\"#cite_ref-:4_45-2\">45.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Sbail\u00f2, L.; Purcell, T.A.R.; Ghiringhelli, L.M. et al. (15 September 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/tetradymite_prm2020\" target=\"_blank\">\"tetradymite_PRM2020\"<\/a>. NOMAD Laboratory<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/aitutorials\/tetradymite_prm2020\" target=\"_blank\">https:\/\/nomad-lab.eu\/aitutorials\/tetradymite_prm2020<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=tetradymite_PRM2020&rft.atitle=&rft.aulast=Sbail%C3%B2%2C+L.%3B+Purcell%2C+T.A.R.%3B+Ghiringhelli%2C+L.M.+et+al.&rft.au=Sbail%C3%B2%2C+L.%3B+Purcell%2C+T.A.R.%3B+Ghiringhelli%2C+L.M.+et+al.&rft.date=15+September+2020&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fnomad-lab.eu%2Faitutorials%2Ftetradymite_prm2020&rfr_id=info:sid\/en.wikipedia.org:Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104050232\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.721 seconds\nReal time usage: 0.883 seconds\nPreprocessor visited node count: 45200\/1000000\nPost\u2010expand include size: 370303\/2097152 bytes\nTemplate argument size: 104375\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 101556\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 559.536 1 -total\n 88.71% 496.359 1 Template:Reflist\n 71.12% 397.949 45 Template:Citation\/core\n 63.23% 353.769 34 Template:Cite_journal\n 12.76% 71.388 43 Template:Date\n 11.24% 62.884 10 Template:Cite_web\n 7.55% 42.220 69 Template:Citation\/identifier\n 6.20% 34.705 1 Template:Infobox_journal_article\n 5.37% 30.056 1 Template:Infobox\n 3.05% 17.065 1 Template:Citation\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14477-0!canonical and timestamp 20240104050231 and revision id 53493. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding\">https:\/\/www.limswiki.org\/index.php\/Journal:The_NOMAD_Artificial_Intelligence_Toolkit:_Turning_materials_science_data_into_knowledge_and_understanding<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","a94e862a4bd2d96312988755f3501fe0_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/78\/Fig1_Sbail%C3%B2_npjCompMat22_8.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/c5\/Fig2_Sbail%C3%B2_npjCompMat22_8.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/7f\/Fig3_Sbail%C3%B2_npjCompMat22_8.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/ac\/Fig4_Sbail%C3%B2_npjCompMat22_8.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/3\/31\/Fig5_Sbail%C3%B2_npjCompMat22_8.png"],"a94e862a4bd2d96312988755f3501fe0_timestamp":1704389297,"f17f0c7eee3c0de3249672f8d2cbaf53_type":"article","f17f0c7eee3c0de3249672f8d2cbaf53_title":"Integration of X-ray absorption fine structure databases for data-driven materials science (Ishii et al. 2023)","f17f0c7eee3c0de3249672f8d2cbaf53_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science","f17f0c7eee3c0de3249672f8d2cbaf53_plaintext":"\n\nJournal:Integration of X-ray absorption fine structure databases for data-driven materials scienceFrom LIMSWikiJump to navigationJump to searchFull article title\n \nIntegration of X-ray absorption fine structure databases for data-driven materials scienceJournal\n \nScience and Technology of Advanced Materials: MethodsAuthor(s)\n \nIshii, Masashi; Tanabe, Kosuke, Tanabe; Matsuda, Asahiko; Ofuchi, Hironori; Matsumoto, Takahiro; Yaji, Toyonari; Inada, Yasuhiro; Nitani, Hiroaki; Kimura, Masao; Asakura, KiyotakaAuthor affiliation(s)\n \nNational Institute for Materials Science, Japan Synchrotron Radiation Research Institute, Ritsumeikan University, Hokkaido UniversityPrimary contact\n \nEmail: ISHII dot Masashi at nims dot go dot jpYear published\n \n2023Volume and issue\n \n3(1)Article #\n \n2197518DOI\n \n10.1080\/27660400.2023.2197518ISSN\n \n2766-0400Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.tandfonline.com\/doi\/full\/10.1080\/27660400.2023.2197518Download\n \nhttps:\/\/www.tandfonline.com\/doi\/epdf\/10.1080\/27660400.2023.2197518 (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Activities of XAFS database \n4 Integration of XAFS databases: Issues and trials \n\n4.1 Design and collection of metadata \n4.2 Unification of vocabulary \n\n\n5 Construction of the MDR XAFS DB \n\n5.1 Database policy \n5.2 Metadata implementation for cross searches \n5.3 Database management \n\n\n6 Contents of the MDR XAFS DB \n\n6.1 Statistics \n6.2 Metadata analysis \n6.3 Energy calibration \n6.4 Data federation \n\n\n7 Issues to be resolved \n8 Conclusion \n9 Appendices \n10 Acknowledgements \n\n10.1 Funding \n10.2 Conflict of interest \n\n\n11 References \n12 Notes \n\n\n\nAbstract \nWith the aim of introducing data-driven science and establishing an infrastructure for making X-ray absorption fine structure (XAFS) spectra findable and reusable, we have integrated XAFS databases in Japan. This integrated database (MDR XAFS DB) enables cross searching of spectra from more than 2,000 samples and more than 700 unique materials with machine-readable metadata. The introduction of a materials dictionary with approximately 6,000 synonyms has improved the search performance, and links with large external databases have been established. In order to compare spectra in the database, the energy calibration policies of each institution were compiled, and the energy calibration methods across institutions were shown. This clarified how to utilize the MDR XAFS DB as a knowledge base. The database created through this cross-institution initiative is a model case for the further development of databases for other methods and materials informatics processes using them.\nKeywords: X-ray absorption fine structure, data integration, metadata, materials data repository, DOI, RDF\nGraphic abstract: \n\n\nIntroduction \nWhile new data-driven scientific discoveries are progressing in various fields[1], ensuring sources of data has become a serious challenge. In particular, data collection in experimental science requires innovations due to the time-consuming tasks involved in data acquisition. There have been trials in many studies, for example, in the development of high-throughput experiments using robotics and combinatorial techniques.[2][3][4] However, measurements that require a variety of experimental environments, such as operando[5] and low-temperature measurements, are not always suitable for such high-throughput experiments. For the accumulation of data from experiments that require diverse environments, one possible solution is the integration of data through the cooperation of related researchers.[6] Given the diverse range of users involved, the requirements for this data integration are as follows:\n\nThe benefits of data integration should be not only in data-driven science but also in everyday research.\nThe data and metadata should be in as few formats as possible (ideally one format).\nThe publication infrastructure should be prepared as a repository with policies for data utilization, such as the FAIR Principles. (FAIR is an acronym for \"findable, accessible, interoperable, reusable\" and is a basic guideline for the utilization of data.)[7]\nThe database infrastructure should have search functionality and not just storage online.\nThe X-ray absorption fine structure (XAFS)[8][9] discussed in this paper is a typical synchrotron radiation experimental technique that provides the atomic-level local structure (e.g., bond length, coordination number, etc.) and electronic states of a specific element by exciting its inner-shell electrons. Atomic-scale observation areas have a high commonality even if the samples are intended for various applications or are processed in multiple ways. In other words, many researchers across different fields\u2014including materials science\u2014can discuss a single spectrum and feedback the knowledge they obtained from their samples. The establishment of a basis, by which various XAFS spectra can be superimposed and compared, activates research. We have established an infrastructure for sharing XAFS spectra by integrating XAFS databases in Japan. In this paper, we clarify the problems with integrating data and discuss the solutions attempted in this initiative.\n\nActivities of XAFS database \nIn order to understand international trends in XAFS databases, we have summarized well-known data provision services outside of Japan:\n1. Farrel Lytle Database: The Farrel Lytle Database is a collection of data measured by F.W. Lytle and is probably the world\u2019s oldest and largest XAFS database operated by the International X-ray Absorption Society (IXAS). There are over 7,000 RAW data items, and PROCESSED data compressed into a standard format are also available.\n2. IXAS X-ray Absorption Data Library: The IXAS X-ray Absorption Data Library is operated by IXAS and publishes 20 absorption edges, with a total of 276 spectra, measured primarily at the Advanced Photon Source (APS) and the Stanford Synchrotron Radiation Lightsource (SSRL). The unique sample type is 105. Data is stored in the XAFS Data Interchange (XDI) Format[10], with metadata beginning with #\u2009+\u2009Key\u2009+\u2009Value in the header. It provides superior reuse of data.\n3. ID21 Sulfur XANES Spectra Database: The ID21 Sulfur XANES Spectra Database represents a collection of data provided by the ID21 beamline users at the European Synchrotron Radiation Facility (ESRF). The database is particularly rich in chemical information on samples, which makes it easy to reuse data. Graphical and text data are provided. The database contains 43 inorganic and 29 organic material spectra. \nIn response to such XAFS database activity outside Japan, the database constructed in this initiative has successfully integrated the major XAFS databases currently available in Japan. The features of these databases are summarized below:\n4. BL14B2 XAFS Standard Sample Database: The BL14B2 XAFS Standard Sample Database] is the largest XAFS database in Japan, owned by SPring-8 and operated by Japan Synchrotron Radiation Research Institute (JASRI). The database contains spectral data on 1,913 chemical substances. All of the measured samples are defined as \"Standard.\" For example, for commercial products, information such as the supplier and model number are included in the metadata, making them traceable. The data can also be obtained in bulk by installing the downloader software provided.\n5. Hokkaido University XAFS DB: The Hokkaido University XAFS DB is the oldest XAFS database in Japan. It was developed in collaboration with the Japan XAFS Society (JXS) and is operated by the Institute for Catalysis (ICAT). Its history and operational policy are described by Asakura et al.[6], who point out the necessity of data integration for the XAFS community, one of the triggers for this project. Currently, approximately 300 spectral data are included in the database.\n6. Ritsumeikan University Soft X-ray XAFS Database: The Ritsumeikan University Soft X-ray XAFS Database] is an open-access database from Ritsumeikan University, which has a soft X-ray synchrotron radiation facility. The database is operated by the Ritsumeikan SR Center. While most of the data are hard X-ray XAFS spectra, this database is a valuable data source that complements the spectra of light elements. Currently, 194 spectra from 98 samples are available using the following detection techniques: Total Electron Yield (TEY), Partial Electron Yield (PEY), Partial Fluorescence Yield (PFY), Inverse Partial Fluorescence Yield (IPFY), and Total Fluorescence Yield (TFY).\n7. Photon Factory XAFS Database: The Photon Factory XAFS Database] is published by the Institute of Materials Structure Science (IMSS), which operates the Photon Factory (PF). Data are registered by facility personnel and PF users, and currently 148 spectral data are publicly available. The metadata must be parsed from the header of the data file.\n\nIntegration of XAFS databases: Issues and trials \nWe have integrated the four above-mentioned Japanese databases in this initiative and created a new public infrastructure, the MDR XAFS DB.[11] The most important function of an integrated database is cross searching, and there are two main issues in realizing this: designing and collecting metadata describing spectra and sample details, and unifying the vocabulary used in the metadata, including not only metadata items (keys) but also descriptions (values).\nSince XAFS experiments are usually performed at large synchrotron radiation facilities, the conditions of the storage ring for X-ray generation and the optical system for extraction of monochromatic X-rays can almost all be automatically obtained as metadata. The problem is how to collect user-dependent metadata, such as experimental conditions, in a defined format, that is, keys and values expressing sample composition, shape, customized measurement parameters, etc., since these can be written in a variety of ways. Therefore, the format of user-dependent metadata needs to be defined and structured. Another problem is that each synchrotron radiation facility has its own metadata descriptions. In the following, such individual metadata is referred to as \"local metadata.\" Local metadata must eventually be integrated with data that is shared with other facilities. Even if the above issue is resolved, if the vocabulary used for keys and values is not unified, the search performance of the integrated database will deteriorate. In this study, we focused on the project goals of integrating XAFS spectral data and cross searches, and we found the following practical solutions to the above issues.\n\nDesign and collection of metadata \nAlthough the data format of XAFS spectra is based on simple columns of incidence and absorption X-ray intensities in a certain photon energy range, various formats are available. In Japan, there are 9809 (PF and SPring-8 Standard), REX[12], and Athena[13] formats, etc., that are compatible with post-experimental data analysis software. Metadata is placed in the header, providing the metadata necessary for analysis and some additional information. However, considering data reuse, these few pieces of metadata are not sufficient, and a wide variety of metadata needs to be organized, as described below. In such cases, it is not desirable to include a few lines of metadata as a header, and it is necessary to prepare a structured metadata file separate from the data file. In other words, it is necessary to maintain the existing data file, add a structured metadata file, and consider how to use it as a new information source to achieve the desired functionality.\nHere we describe the general concept of metadata and the methods we adopted to achieve this goal. Figure 1(a) conceptually shows a general metadata hierarchy (stacked metadata model). Figure 1(b) shows schematically the scale of the users of each hierarchy level. The first (top) level is metadata that is always present in any study, such as names, institutions, etc. Its users are broad, and its content is shallow and requires no specialized knowledge. The second level is large category metadata, such as specific measurements (e.g., synchrotron radiation experiments) and samples, which require a certain level of specialized knowledge and have fewer users. The third (bottom) level is metadata specific to XAFS that is highly specialized and has in-depth content with little commonality. Its users are limited to a small number of researchers in the materials field. In general, as shown in Figure 1(a), the number of metadata keys increases as the hierarchy becomes deeper, and it is necessary to handle a variety of contents. The relationship between (a) and (b) is that of a pyramid and an inverted pyramid. We believe that there is more than one way to use metadata, but the appropriate key should be used according to the purpose. It is desirable that all the keys are used for wide and shallow and narrow and deep use, as shown in Figure 1. Since the purpose of the MDR XAFS DB is a cross search, we extracted the keys in the first and second levels with a careful review, according to the purpose of the search.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. (a) Stacked metadata model with a hierarchy of keys that increase in number as they become more specialized, and (b) the scale of users at each level of the hierarchy.\n\n\n\nWe organized local metadata as shown in Table 1. The keys are classified according to the following purposes:\n\nKeys for general information\nKeys related to the reproducibility and reliability of XAFS experiments\nKeys necessary for the integration of XAFS spectrum data\n\n\n\n\n\n\nTable 1. Categorization of keys contained in local metadata.\n\n\nPurpose\n\nTypical keys\n\nUse case\n\n\nGeneral information\n\nDate, Experimenter, Facility, Beamline, Method, Sample\n\nComparison with other experimental data, Discovering relevant data\n\n\nReproducibility and reliability of XAFS experiments\n\nMonochromator, Mirror, Slit, Energy calibration, Number of measurement points, Step width, Ion chamber gas, Amplifier gain\n\nAccuracy evaluation, Detection limits, Reproduction of experiments, Precise analyses\n\n\nIntegration of XAFS spectrum data\n\nColumn name, Unit, Data format\n\nBig data creation, Statistical analysis, Machine learning\n\n\n\nIn the case of purpose two, it is highly specialized and not necessary for all researchers of materials, but it is essential for XAFS researchers. Therefore, purpose two corresponds to the third level in Figure 1(a). Additionally, purpose three is information necessary for recent data-driven research. That is, in order to perform big data creation, statistical analysis, and machine learning, information about the definition of the content in each column and its data format is necessary at the data merging stage. Further, since multiple data formats are mixed in the MDR XAFS DB, as mentioned above, this information is necessary for XAFS spectrum analysts.\nConsequently, most of the metadata in purpose two and three are necessary for data use but not for cross searches. It is clear that general information in purpose one, e.g. beamline name, measurement technique, and sample name, is suitable for cross searches. And the number of metadata commonly handled here is likely to be less than 10. We will discuss in the next section on the construction of the MDR XAFS DB what keys to assign and uses for these general metadata, including the constraints of the actual data infrastructure.\n\nUnification of vocabulary \nExamples of successful lexicon creation can be seen in Wikidata projects. There, each vocabulary is uniquely managed by assigning IDs to each vocabulary in turn, and synonyms are registered to prevent vocabulary fluctuations. The National Institute for Materials Science (NIMS) has adopted a similar system to manage research vocabulary and has established the materials vocabulary platform (MatVoc)[14], which manages material names and other information using IDs called \"QIDs.\" This platform is already in use in the search system and was released to the public in January 2023. We have used this dictionary to streamline the process of checking whether the material is the same as previously registered data. Currently, this work is performed manually by the database editor, but in the future, it may be used by users to identify names when registering data, and furthermore, it may be automated by machines. Lexicographic control is extremely important for material names, which are extremely diverse in the way they are described. However, as the registration of spectra by individuals begins in the future, it is quite possible that common names and abbreviations will be included in the metadata for beamlines and facilities as well, and the importance of vocabulary management is expected to increase. In fact, as discussed later, facility and beamline policies are incorporated into the energy calibration and metadata contents, thus they can be parameters for data screening.\nFurthermore, these IDs are also used as Uniform Resource Identifiers (URIs), which form a space of material-related lexicons, a namespace, and is publicly available.[15] In this space, one can find the standardized name of materials and their QIDs and chemical formulas (if present). For example, the QID for tin(II) chloride dihydrate is Q2307. (This URI has content for Q2307 in machine-readable format.)\nThere are currently 713 entities registered as XAFS-related material names, and the number of synonyms is about 6,000. Within MatVoc, many materials are assigned Chemical Abstracts Service (CAS) registry numbers to manage the vocabulary in a favor of linkage with large external databases. (The mapping to external URIs and the resulting validation of data linkage are discussed further two sections from now on the contents of the MDR XAFS DB.) The details of the concept of data and vocabulary management in the project are not limited to the MDR XAFS DB but are general in nature and will be presented at another time.\n\nConstruction of the MDR XAFS DB \nDatabase policy \nAs described prior, earlier efforts to build XAFS databases were done individually. Taking a broad view, it can be concluded that we are in a transitional period from the past, where spectral data only need to be understood by the person who measured them, and the recent policy that aims for a cyber society where understandable metadata are added to the data and shared with many people. In fact, some databases still follow the tradition of leaving information in the file name or sample name, which should be recorded separately as metadata, to serve as a reminder to the person who recorded it. On the other hand, databases that seek to collect data systematically have machine-readable metadata, even though they cannot follow pioneering standard data formats such as NeXus.[16] Therefore, deep data linkage is possible through an interface that allows correspondence to be established. Although these differences in policies among the participating institutions were a challenge in integrating the databases, a construction policy was formulated and the integrated database MDR XAFS DB was constructed based on this policy. Here, Material Data Repository (MDR)[17], as the database infrastructure, is operated as part of a data platform project that has been underway at NIMS since 2017.\nMDR has functions and operational policies suitable for open data in accordance with the FAIR Principles[7], which is becoming a fundamental concept for data utilization. Notably, data registered in the MDR is assigned a Digital Object Identifier (DOI) to enhance the visibility of the data. It also has an application programming interface (API) function, which enables not only a graphical user interface (GUI) but also large data unit operations that are suitable for data-driven science. The repository in this project is divided into three main areas: publications, datasets, and collections that systematically archive data. At the time of writing this paper, approximately 1,272 publications and 2,370 datasets have been registered. Each data set in the XAFS DB is stored in the datasets area, and all data are also registered in a collection for systematic browsing. Currently, there are 15 similar systematically organized datasets, that is, collections. The MDR is an open data repository and can be used according to the license granted to each piece of data.\nConsidering the background so far, i.e., the requirements from the XAFS community, including the cross searches described in the prior section, and MDR\u2019s engineering abilities, we decided on the following construction policy for the MDR XAFS DB:\n\nEach spectral data provided by each institution must be accompanied by a structured local metadata file in Yet Another Markup Language (YAML) format.\nKeys in the local metadata should be standardized so that the data can be searched seamlessly without being aware of the differences between data-providing institutions.\nThe keys to be standardized are the names of materials, chemical formulas, absorption edges, beamline names, and monochromator crystals.\nThe set of metadata and the spectral data of the sample and reference sample should be defined as \"1 Work,\" and each Work should be assigned a DOI.\nEach data providing institution is responsible for the quality and rights of the data, and data that have already been published should be used.\nThe data to be released in the MDR XAFS DB should be open-access spectra and their supplementary data only, and the license should be Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0).[18]\nMetadata implementation for cross searches \nThe policy in the prior subsection had to be consistent with the cross-search requirements discussed in the section prior to that. That is, the names of materials, chemical formulas, absorption edges, and spectrometer crystals had to be extracted from the local metadata provided in YAML format by each participating institution and then embedded in the MDR metadata. Since MDR is not a specialized repository for a specific area of materials science, it is not suitable for creating an advanced database customized for a single purpose, i.e., XAFS. On the other hand, it is advantageous for linking with other data in MDR because it integrates data from a wide range of areas that are not limited to XAFS. In any case, based on this data provision concept, the MDR has its own data structure and rules for input (schema)[19], so it was not possible to fit all the key values for these cross searches into the MDR metadata. For example, with beamline names there is no commonality except for synchrotron radiation experiments, and there are no applicable keys in the MDR metadata schema. Therefore, the following keys for cross searches were extracted from the local metadata of each organization and implemented as values for \"Keyword,\" which is one of the keys in the MDR metadata schema. The following is an example of keywords extracted in YAML format:\nsubjects:\n\u2013 subject: Nickel # Material name\n\u2013 subject: Ni # Chemical formula\n\u2013 subject: Ni K-edge # Absorption edge\n\u2013 subject: Pure metal # Material superordinate\n\u2013 subject: Si(111) # Monochromator crystals\n\u2013 subject: BL-12C # Beamline name\n\u2013 subject: Photon Factory # Data provider\n\u2013 subject: XAFS # Measurement method (fixed)\n\u2013 subject: collection \u2013 MDR XAFS DB # Identification of collection (fixed)\nThe comment text after the \"#\" is for ease of understanding for the reader and the definition of the value. Although metadata keys should be precisely defined, the polymorphic key \"Subject\" is utilized here. This is because it follows DataCite\u2019s schema for obtaining DOIs[20], but it should be noted that this key is used only for the index for cross-search in MDR. As described below, we have demonstrated that these simplified keys are sufficient for screening data. When cross-searching many fields, the use of a univocal key may inadvertently limit the search target. The advantage of the MDR keyword function is that users can filter the data by sequentially selecting these keys. For example, selecting \"Absorption edge\" filters out relevant excitation elements, followed by \"Material superordinate\" to obtain to the desired material system. Here, the vocabulary used in the keywords should be the nomenclature as described in the prior section so that users can search the data seamlessly regardless of the institutions registered. Furthermore, it is also possible to select an institution by choosing \"Data provider\" in the keywords.\n\nDatabase management \nThese cross-institutional initiatives require systematic database management. This section describes how data are registered, assigned DOIs, and maintained. As shown in Figure 2, data registration begins with the submission of spectral data and local metadata including necessary information, such as data provider information and rights statements. Registration is completed when it is confirmed the registration data are displayed correctly on the test server. Within MDR, after the DOI is issued via electronic submission, the data is added to the MDR XAFS DB in the MDR Collection and eventually released to the public. The cross-search keywords described in the prior subsection are also used to obtain DOIs and are the target of searches by DataCite, an organization that grants DOIs for research data. Automating and simplifying the registration procedure make it easier for users to register data directly in the future. Data registration is a joint initiative of materials scientists, engineers in charge of MDR, and service team members to handle data from the data-providing institutions that have contracts with NIMS. The contract procedure guarantees the legality of data use, and the names of these responsible institutions also appear in the keywords mentioned above. The granting of a DOI makes spectral data not just stored data but also carries with it the responsibility of publication. For example, due to the persistence of DOIs, if a serious error is found, a tombstone page is created indicating the reason for the error. Indeed, tombstone pages have been created for seven spectral data so far. This situation is undesirable, and further consideration should be given to how much effort needs to be devoted to the peer review of registration data.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 2. Spectra registration flow for publication in MDR XAFS.\n\n\n\nContents of the MDR XAFS DB \nStatistics \nAs of September 2022, the statistical information of the MDR XAFS DB, which was created by integrating the databases of the four institutions described above, is as follows:\n\nTotal number of data: 2,174 (contains seven invalidated data with DOIs)\nTotal number of absorption edges: K-edge 1,310 and L-edge 864\nUnique absorption edges: K-edge 47 and L-edge 23\nUnique materials: 713\nFigure 3 summarizes the number of K-edge (a) and L-edge data (b), respectively, in histograms. As shown in these figures, the number of absorption edges is more than 100 spectra at the NiK-edge and W L-edge to the unregistered edge. In these figures, the number of highly monochromatic incident X-ray measurements using Si(311) as the monochromator crystal are also shown in the line graph. Approximately 45 percent of the K-edge and 30 percent of the L-edge are high-resolution spectral measurements, and the MDR XAFSDB can easily filter these high-resolution spectra using the keyword \"Si(311).\"\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 3. Number of data for (a) K-absorption edge and (b) L-absorption edge shown in histograms.\n\n\n\nFigure 4 shows the number of registered absorption edges sorted in descending order of number. The inset shows the top 10 absorption edges marked in yellow in the figure and their spectral numbers for both K-edge and L-edge. (More detailed registration numbers are listed on the MDR XAFS DB ReadMe page.) The accumulation is also shown. The results show that 90 percent of spectra are covered by 24 elements in K-edge and 13 elements in L-edge, which roughly correspond to 50 percent of the major absorption edges, indicating that there are many absorption edges with low registration numbers. Ideally, these curves should increase linearly or follow a curve according to a strategic spectrum collection plan. We are considering extending the K-edge spectrum to the Zn-Zr region, where a gap is seen in Figure 3(a), and the L-edge spectrum to lighter elements. Establishing a cooperative system in the community, such as by supplying samples to participating institutions, is also desirable.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 4. Number of absorption edge spectra registered in the MDR XAFS DB sorted in descending order and their accumulation.\n\n\n\nMetadata analysis \nIn this project, we have conducted a sample nomenclature with an emphasis on linking with other material data. However, in practical terms it is not sufficient to only use nomenclatures. Instead, it is necessary to map with more general external information, for example, linking with the ID of a well-known large external database or providing detailed product information. Therefore, we investigated the keys related to samples in the local metadata of each data-providing institution. The metadata keys related to the samples and their numbers for the four institutions are summarized in Table 2. Since the names of the keys in the local metadata of each institution are not unified at this time, keys with the same meaning are placed on the same line.\n\n\n\n\n\n\n\nTable 2. Metadata keys related to samples and the number of keys.\n\n\nJASRI\n\nRitsumeikan University\n\nHokkaido University\n\nKEK\n\n\nKey\n\nNumber of value\n\nKey\n\nNumber of value\n\nKey\n\nNumber of value\n\nKey\n\nNumber of value\n\n\nname\n\n1757\n\nname\n\n75\n\nname\n\n206\n\nname\n\n136\n\n\nchemical_formula\n\n1684\n\nchemical_formula\n\n75\n\nchemical_formula\n\n206\n\nchemical_formula\n\n121\n\n\n\n\n\n\nCAS_number\n\n68\n\nCAS_number\n\n169\n\n\n\n\n\n\nsupplier\n\n1753\n\nmanufacturer\n\n31\n\n\n\n\n\nmanufacturer\n\n2\n\n\nmodel_number\n\n1737\n\nProduct_number\n\n24\n\n\n\n\n\nproduct_number\n\n1\n\n\nlot_number\n\n1715\n\nsample_lot_number\n\n16\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nadditional_data\n\n75\n\nadditional_metadata\n\n121\n\nadditional_data\n\n62\n\n\nTotal\n\n8646\n\nTotal\n\n354\n\nTotal\n\n702\n\nTotal\n\n322\n\n\nAverage\n\n4.920\/work\n\nAverage\n\n4.853\/work\n\nAverage\n\n3.408\/work\n\nAverage\n\n2.368\/work\n\n\n\nAs summarized in Table 2 and the following paragraphs and beyond, it is clear that each facility has its own characteristics. Local metadata about the sample is entered using a user interface provided by the facility and merged with facility-specific metadata (e.g., storage ring current) and beamline metadata (e.g., optical element settings). In other words, metadata is not designed by individual users. Considering that once metadata is established, it will be used by many users, it is important to recognize that the characteristics will have a significant impact on the MDR XAFS DB.\nIn SPring-8, the metadata keys are designed to focus on identifying individual samples rather than linking with external databases. Therefore, information such as supplier, model number, and lot number is attached to almost all samples. In this way, each sample should have a well-defined individual ID along with a nomenclature ID. This process leads to complete data management, such that each study sample is traceable and retains its provenance and related properties. The average number of metadata on samples per work (hereafter referred to as the average number of metadata) is the highest at 4.92 per work. Here, it is necessary to explain why there are fewer chemical formulas than the number registered. In this database, there are registered samples, such as alloys and composites, that have names but no identification chemical formula. To the best of our knowledge, there are no data where the registrant forgot to include the chemical formula, so we conclude that the lack of a chemical formula does not prevent the use of the data.\nUnlike SPring-8, Ritsumeikan University has set up metadata keys that can be linked to external databases. In fact, more than 90 percent of the registered data have CAS registry numbers. In addition, all samples are provided with additional data that is needed to understand the experiments. Reflecting the fact that the measurements are made with soft X-rays and not transmissions, the sample shape information, such as \"powder on carbon tape,\" is provided. The average number of metadata is 4.85 per work, which is comparable to that of SPring-8. All samples from Ritsumeikan University have chemical formulas.\nMetadata for Hokkaido University and KEK were extracted from sample names freely written by users. In many cases, sample names incorporate experimental conditions in addition to the substance names and are written in original, non-standardized notations. For example, \"SUS316L Ni K-edge 18.2 K\" is a typical example\u3000of an original sample name. Although experts, or those who did the experiment, can generally guess the meaning, the metadata creation method needs to be improved for future usage by third persons and computers that perform machine-learning analysis. The Japanese Society for Synchrotron Radiation Research (JSSRR) and JXS are currently working on a unified metadata format, and it is expected that users will provide the values (sample names) in the standardized metadata keys by themselves at the time of experiments in the future. The sharing of these issues with the XAFS community in the framework of the MDR XAFS DB project is expected to have a positive effect on data registration and cross-disciplinary data integration going forward. The average number of metadata for the Hokkaido University and KEK are 3.41 and 2.37 per work, respectively. For the data from Hokkaido University, 80 percent of the extracted substance names were manually assigned CAS registry numbers in this project.\n\nEnergy calibration \nThe most important issue in XAFS measurements is the lack of a clearly defined absolute photon energy. When discussing fine structural details, such as peak attribution in X-ray absorption near edge structure (XANES) spectra, a comparison of various compounds is necessary. At the minimum, the relative energy relationship must be explicitly defined. In the MDR XAFS DB, where there are many independent registrants and measurers, it is inherently desirable to have a common energy standard. While an absolute energy calibration method using \"glitches\" in the spectra caused by multiple-beam diffraction[21], highly accurate energy identification attempts[22], and well-organized historical tables[23] have been proposed, MDR XAFS DB adopts the relative energy calibration method using standard samples. In fact, this is because the absolute energy of any absorption edge has not been determined at this time. On the other hand, as shown below, there are no standardized guidelines for relative energy calibration, and data suppliers provide their own energy calibration methods.\nAll soft X-ray spectra provided by Ritsumeikan University adopt a method of calibrating a characteristic peak to a defined energy. An example of the definition of that energy calibration in local metadata in YAML format is shown below:\nmeasurement:\nenergy_calibration:\n\u2013 standard_sample: alpha-Al2O3\ncalibration_position: white line peak maximum\nenergy: 1567.71\nenergy_unit: eV\nThis machine-readable metadata states that the energy of the white line peak of alpha-Al2O3 was set to 1567.71\u2009eV for this measurement.\nIn all hard X-ray spectra provided by JASRI, metallic foils stable in air are used as reference samples. In cases where no suitable metallic foil is available, metallic powders, oxides, or metallic foils with adjacent absorption edge energies are used. This procedure is well established, so that all spectra provided by JASRI for the same absorption edge and the same monochromator crystal are uniquely calibrated. The spectra are not simply measured relative to a standard sample but are calibrated in a similar way to Ritsumeikan University, as follows:\n\nFor the Cu K-edge, the pre-edge peak is set to E\u2009=\u20098980.23\u2009eV.\nWhen measuring absorption edges other than the Cu K-edge, energy calibration at the Cu K-edge should be performed first.\nIf the energy of the absorption edge to be measured differs significantly from the value in the literature, then energy calibration is performed again using the value.\nMany of the spectral data provided by Hokkaido University are attached to reference spectra, and although there is no prescribed calibration procedure, it is possible to compare spectra using a single energy axis at many absorption edges.\nTherefore, as shown in the actual example of the Cu K-edge in Figure 5, (a) if we consider only the JASRI data, spectra of various materials can be shown in the same figure as is, and (b) with the Hokkaido University data, multiple spectra can be superimposed by appropriate calibration. However, as can be seen from the energy axis, there is no common reference point for both institutions. And when merging data, it would be ideal to use a common reference sample and calibrate the data before registration in the database. Figure 5 plots the data for each institution, but in this example, the Cu foil could be the common reference sample. Strictly speaking, the reference samples need to be identical and not just have the same material. But the limitations of such a method should be understood, due to the characteristics of each facility, beamline, and instant of X-rays.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 5. Examples of Cu K-edge spectra provided by (a) JASRI and (b) Hokkaido University.\n\n\n\nFigure 6 shows the results of verifying this limitation using the actual spectra of Cu foils in the MDR XAFS DB, where first derivative d\u03bct\/dE spectra of Cu K-edge data provided by JASRI, Hokkaido University, and KEK are superimposed by applying two different methods of energy offsets. Figure 6(a) shows where the pre-edge peaks are aligned, and Figure 6(b) shows where the pre-edge leading edges (the first peak of d\u03bct\/dE spectra) are aligned. Since this figure is a differential spectrum, the energy at zero on the vertical axis E(d\u03bct\/dE\u2009=\u20090) indicates the peak or dip in the original XAFS spectrum. Here, Hokkaido University, KEK, and JASRI data are labeled with Hok, KEK, and SP8, respectively.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 6. Comparison of two energy offset methods, (a) pre-edge peak and (b) leading edge alignments. (The inset shows the difference in photon energy at the peaks and dips.) (c) Result of the proposed method, i.e., energy correction that makes the sum of \u0394Es zero.\n\n\n\nThe inset summarizes the energy difference at E(d\u03bct\/dE\u2009=\u20090) for each of Hok and KEK from that of SP8. The energy difference with respect to SP8 is denoted as \u0394E. The inset also shows the Cu K-edge XAFS spectrum as a dashed line, which shows which peak (dip) corresponds to which E(d\u03bct\/dE\u2009=\u20090). \nFrom these figures, the following can be understood. First, the \u0394E averaged over Hok and KEK together for Figures 6(a,b) were 0.37\u2009eV and 0.14\u2009eV, respectively, as indicated by the auxiliary lines in the inset. The absolute values are larger in Figure 6(a), indicating that the energy calibration of the three spectra is not as well done as for Figure 6(b). This means that the commonly used method of aligning pre-edge peaks is not always optimal. Second, the pre-edge peaks have a large influence as a factor that makes \u0394E large. In fact, the width of \u0394E, i.e., the difference between its maximum and minimum values, is 0.62\u2009eV and 0.75\u2009eV in Figures 6(a,b), respectively. But it is 0.34\u2009eV and 0.40\u2009eV if the pre-edge peaks and dips are not included. This fact suggests that the electronic state of the pre-edge is sensitive to variations in individual samples, as well as to the intrinsic properties of Cu.\nAn example of an optimal method other than the offset using pre-edge peaks is shown in Figure 6(c). When a differential spectrum, as shown in Figure 6, is obtained, several \u0394Es with the spectrum to be compared are obtained in the energy range to be analyzed, as shown in the inset. The offset energy, which gives the sum of these \u0394Es zero, is considered to be plausible as a calibration. In fact, in Figure 6(c), the offset energies of Hok and KEK are 29.40\u2009eV and 0.030\u2009eV, respectively, to reduce the difference from SP8. In order to increase the reliability of the integrated XAFS database, it may be necessary to standardize the preparation and management of reference samples and X-ray beam monitoring methods.\n\nData federation \nThe Resource Description Framework (RDF) is an international model for data federation.[24] This method of representing information as a \"triple,\" the subject, predicate, and object, has been adopted in biotechnology for more than a decade. To facilitate data reuse in materials science, we have implemented RDF-based Semantic Web data linking the MDR XAFS DB. The federated RDF for connecting with huge external databases that is published in RDF format is available at the MDR XAFS DB readme page. Here, data are described in triples using the SKOS (Simple Knowledge Organization System), an internationally standardized predicate for knowledge organizations.[25]\nThis federated RDF describes connecting the QIDs of the aforementioned materials dictionary to the Compound IDs of PubChem, a huge and well-known database, with the predicate SKOS:closeMatch. Here, the strictness of RDF can be understood from the fact that the definition of this predicate, SKOS:closeMatch[26], is given in the linkage with SKOS and is replaced by the namespace shown in Appendix B. Using this RDF and the definition of MDR\u2019s Work[27], we can combine XAFS spectra with DOI in MDR and SMILES (Simplified Molecular Input Line Entry System) and the molecular weight in PubChem into one table using the following SPARQL (SPARQL Protocol and RDF Query Language)[28] query, where integbio is used as the endpoint for PubChem.\nSELECT distinct ?label ?url ?smiles ?mw\nWHERE {\n?qid skos:closeMatch ?cid;\nrdfs:label ?label.\n?mdr obo:RO_0000057 ?qid;\nrdfs:seeAlso ?url.\nSERVICE <https:\/\/integbio.jp\/rdf\/pubchem\/sparql>;{\n?cid sio:has-attribute ?attribute.\n?attribute a sio:CHEMINF_000376;\nsio:has-value ?smiles.\n?cid sio:has-attribute ?attribute2.\n?attribute2 a sio:CHEMINF_000338;\nsio:has-value ?mw.\n}\n} order by ?mw\nThe URIs of each namespace represented by prefixes such as \"rdfs\": in this SPARQL and the variables used are summarized in Appendix B.\nFor example, the XAFS spectra of 49 organic compounds were linked to PubChem using skos:closeMatch, and SMILES and molecular weight information were added to these XAFS spectra. Since these organic compounds are organometallics covering almost all the major absorption edges shown in the inset of Figure 4, 1,185 spectra can be used to discuss electronic states and structures with the PubChem reference data. Most of them are inorganic materials, but the comparison of electronic states using spectra provides a connection between organic and inorganic materials. One of the advantages of XAFS is that it can make links between these large material differences, and the MDR XAFS DB extends this advantage with Semantic Web technology.\n\nIssues to be resolved \nBelow is a summary by the JXS of the remaining issues:\n\nWhile standard sample data collected systematically by participating institutions are easy to release, several barriers remain for the release of a wide variety of data provided by users, for example, how to deal with rights, such as data possession or how to describe metadata for special samples.\nHow to maintain the quality of the data and whether to set criteria for data publication are two other issues. At a minimum, it is necessary to follow the database policy described prior, but it does not include quality assurance. Ideally, it is better to register only data that can be used reliably by anyone for any purpose, but it is difficult to determine the criteria for judging the reliability of data. Therefore, we have to decide how to create an equitable review process.\nHow to design a unified metadata format across institutions and fill it in efficiently is another issue. It is not easy to create a unified metadata format that covers all the various XAFS methods, and there is no guarantee that everyone will follow that format. Although a minimal mapping and naming of metadata, as in the MDR XAFS DB, is useful for cross searches, we have not found a way to write machine-readable metadata, as discussed in Table 1, that fully guarantee the reproducibility and reliability of the experiments.\nHow should the metadata of multi-dimensional data, such as time-resolved and micro-XAFS imaging data, be described and stored? MDR XAFS DB allows a variety of data formats. In fact, many of the registered metadata contain definitions of the formats used. However, when data formats for multi-dimensional methods are implemented, the definitions cannot be fully described in the metadata, and the guarantee that all data can be reused is rapidly lost. A common data format needs to be created to ensure database usability.\nThese issues will continue to be discussed, but the most important thing is to develop a culture of open data and show the specific benefits in return. We expect that these issues will be resolved sequentially as the MDR XAFS DB initiative moves forward.\n\nConclusion \nFour Japanese institutions have collaborated to integrate XAFS spectral databases. More than 2,000 spectral data have been integrated in the photon energy range from soft to hard X-rays. The database MDR XAFS DB has achieved seamless cross searchability with the use of sample nomenclature so that database users do not have to be aware of the differences in the local metadata of the facilities that provide the data. The introduction of Semantic Web technologies also demonstrated the potential for collaborative use with external data. However, there are still issues to be resolved, such as the acceptance of multidimensional data by time- and space-resolved measurements and unification of metadata, which is necessary for more domain-specific use. The culture of open data has not yet been established in materials science, but we hope that this initiative will be a trigger to promote the utilization of materials data.\n\nAppendices \nAppendix A: A list of DOIs for the spectra used in this paper is summarized below (Table A1).\n\n\n\n\n\n\n\nTable A1. List of DOI for the XAFS spectra used in Figures 5 and 6.\n\n\nFigure\n\nMaterial\n\nDOI\n\n\n5(a)\n\nCu(NO3)2_3H2O\n\nhttps:\/\/doi.org\/10.48505\/nims.2028\n\n\nCuSO4_5H2O\n\nhttps:\/\/doi.org\/10.48505\/nims.1786\n\n\nCuO\n\nhttps:\/\/doi.org\/10.48505\/nims.1767\n\n\nCu2O\n\nhttps:\/\/doi.org\/10.48505\/nims.2026\n\n\nCu foil\n\nhttps:\/\/doi.org\/10.48505\/nims.1759\n\n\n5(b)\n\nCuO\n\nhttps:\/\/doi.org\/10.48505\/nims.3543\n\n\nCu2O\n\nhttps:\/\/doi.org\/10.48505\/nims.3544\n\n\nCu\n\nhttps:\/\/doi.org\/10.48505\/nims.3543\r\nhttps:\/\/doi.org\/10.48505\/nims.3544\n\n\n6\n\nCu\n\nhttps:\/\/doi.org\/10.48505\/nims.3544\r\nhttps:\/\/doi.org\/10.48505\/nims.3672\r\nhttps:\/\/doi.org\/10.48505\/nims.1759\n\n\n\nAppendix B: URIs of each namespace represented by prefixes in SPARQL, discussed in the context of data federation, are summarized as follows (Table B1):\n\n\n\n\n\n\n\nTable B1. URI list for SPARQL used for data federation.\n\n\nPrefix\n\nURI\n\n\ncompound\n\nhttp:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\n\n\nobo\n\nhttp:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\n\n\nrdfs\n\nhttp:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\n\n\nsio\n\nhttp:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\n\n\nskos\n\nhttp:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\n\n\n\nThis SPARQL query is based on the schema defined in http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/ and the schema published in PubChem http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/. The variable definitions used in the query are as follows (Table B2):\n\n\n\n\n\n\n\nTable B2. Variable list for SPARQL used for the data federation URI list for SPARQL.\n\n\nParameter\n\nDefinition\n\n\n?label\n\nName of the material as defined in our material dictionary\n\n\n?qid\n\nQID of the material\n\n\n?cid\n\nCompound ID of the material (PubChem data)\n\n\n?url\n\nURL of the spectral data of the material\n\n\n?attribute\n\nThe name of a property attributed to the CID. Here, it means SMILES.\n\n\n?smiles\n\nSMILES of the material (PubChem data)\n\n\n?attribute2\n\nThe name of a property attributed to the CID. Here, it means molecular weight.\n\n\n?mw\n\nMolecular weight of the material (PubChem data)\n\n\n\nThe contents of the query, which are translated into human-readable format, are as follows:\nGet the PubChem Compound ID and the MDR XAFS DB URI of the corresponding material (including reference samples) while obtaining the SMILES and molecular weight of the material from PubChem.\n\nAcknowledgements \nThis research was supported by the TIA collaborative research program \"Kakehashi,\" JSPS KAKENHI Grant Number 21K18024, and Grant-in-Aid for Transformative Research Areas (A) 22H05109 by JSPS, Japan. We also thank H. Nagao, H. Yoshikawa, M. Kanzaki, M. Shimizu, and K. Inaishi for their technical support.\n\nFunding \nThe work was supported by the Japan Society for the Promotion of Science [21K18024,22H05109]; Tsukuba Innovation Arena (TIA) [2022 Kakehashi_#32].\n\nConflict of interest \nNo potential conflict of interest was reported by the author(s).\n\nReferences \n\n\n\u2191 Hey, Anthony J. G., ed. (2009). The fourth paradigm: data-intensive scientific discovery. Redmond, Washington: Microsoft Research. ISBN 978-0-9825442-0-4.   \n \n\n\u2191 Pyzer-Knapp, Edward O.; Pitera, Jed W.; Staar, Peter W. J.; Takeda, Seiji; Laino, Teodoro; Sanders, Daniel P.; Sexton, James; Smith, John R. et al. (26 April 2022). \"Accelerating materials discovery using artificial intelligence, high performance computing and robotics\" (in en). npj Computational Materials 8 (1): 84. doi:10.1038\/s41524-022-00765-z. ISSN 2057-3960. https:\/\/www.nature.com\/articles\/s41524-022-00765-z .   \n \n\n\u2191 Vaucher, Alain C.; Zipoli, Federico; Geluykens, Joppe; Nair, Vishnu H.; Schwaller, Philippe; Laino, Teodoro (17 July 2020). \"Automated extraction of chemical synthesis actions from experimental procedures\" (in en). Nature Communications 11 (1): 3601. doi:10.1038\/s41467-020-17266-6. ISSN 2041-1723. PMC PMC7367864. PMID 32681088. https:\/\/www.nature.com\/articles\/s41467-020-17266-6 .   \n \n\n\u2191 Jandeleit, B.; Schaefer, D. J.; Powers, T. S.; Turner, H. W.; Weinberg, W. H. (1 September 1999). \"Combinatorial Materials Science and Catalysis\". Angewandte Chemie (International Ed. in English) 38 (17): 2494\u20132532. ISSN 1521-3773. PMID 10508328. https:\/\/pubmed.ncbi.nlm.nih.gov\/10508328 .   \n \n\n\u2191 Nurk, G.; Huthwelker, T.; Braun, A.; Ludwig, Chr.; Lust, E.; Struis, R.P.W.J. (1 October 2013). \"Redox dynamics of sulphur with Ni\/GDC anode during SOFC operation at mid- and low-range temperatures: An operando S K-edge XANES study\" (in en). Journal of Power Sources 240: 448\u2013457. doi:10.1016\/j.jpowsour.2013.03.187. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0378775313006009 .   \n \n\n\u2191 6.0 6.1 Asakura, Kiyotaka; Abe, Hitoshi; Kimura, Masao (1 July 2018). \"The challenge of constructing an international XAFS database\". Journal of Synchrotron Radiation 25 (Pt 4): 967\u2013971. doi:10.1107\/S1600577518006963. ISSN 1600-5775. PMC 6038598. PMID 29979157. https:\/\/pubmed.ncbi.nlm.nih.gov\/29979157 .   \n \n\n\u2191 7.0 7.1 Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, IJsbrand Jan; Appleton, Gabrielle; Axton, Myles; Baak, Arie; Blomberg, Niklas; Boiten, Jan-Willem et al. (15 March 2016). \"The FAIR Guiding Principles for scientific data management and stewardship\" (in en). Scientific Data 3 (1): 160018. doi:10.1038\/sdata.2016.18. ISSN 2052-4463. PMC PMC4792175. PMID 26978244. https:\/\/www.nature.com\/articles\/sdata201618 .   \n \n\n\u2191 Kincaid, Brain M.; Eisenberger, P. (2 June 1975). \"Synchrotron Radiation Studies of the K -Edge Photoabsorption Spectra of Kr, Br 2 , and Ge Cl 4 : A Comparison of Theory and Experiment\" (in en). Physical Review Letters 34 (22): 1361\u20131364. doi:10.1103\/PhysRevLett.34.1361. ISSN 0031-9007. https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.34.1361 .   \n \n\n\u2191 Rehr, J. J.; Albers, R. C. (1 July 2000). \"Theoretical approaches to x-ray absorption fine structure\" (in en). Reviews of Modern Physics 72 (3): 621\u2013654. doi:10.1103\/RevModPhys.72.621. ISSN 0034-6861. https:\/\/link.aps.org\/doi\/10.1103\/RevModPhys.72.621 .   \n \n\n\u2191 Newville, M.; Ravel, B.; Sol\u00e9, V. et al. (8 May 2015). \"XAS Data Interchange Format Draft Specification, version 1.0\". GitHub. https:\/\/github.com\/XraySpectroscopy\/XAS-Data-Interchange\/blob\/master\/specification\/spec.md . Retrieved 14 October 2022 .   \n \n\n\u2191 Ishii, Masashi (2021). MDR XAFS DB. Hiroko Nagao, Kosuke Tanabe, Asahiko Matsuda, Hideki Yoshikawa. doi:10.48505\/NIMS.1447. https:\/\/mdr.nims.go.jp\/collections\/qz20st57x .   \n \n\n\u2191 Taguchi, T.; Ozawa, T.; Yashiro, H. (2005). \"REX2000 Yet Another XAFS Analysis Package\" (in en). Physica Scripta: 205. doi:10.1238\/Physica.Topical.115a00205. ISSN 0031-8949. https:\/\/iopscience.iop.org\/article\/10.1238\/Physica.Topical.115a00205 .   \n \n\n\u2191 Ravel, B.; Newville, M. (1 July 2005). \"ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT\". Journal of Synchrotron Radiation 12 (4): 537\u2013541. doi:10.1107\/S0909049505012719. ISSN 0909-0495. https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0909049505012719 .   \n \n\n\u2191 \"NIMS XAFS DB Project Materials Dictionary\". MatVoc Explorer. National Institute for Materials Science. 2023. https:\/\/matvoc.nims.go.jp\/explore\/en\/dictionary\/Q713 .   \n \n\n\u2191 Ishii, M. (2023). \"MatVoc vocabulary\". MDR XAFS Ontology. https:\/\/dice.nims.go.jp\/ontology\/mdr-xafs-ont\/Item .   \n \n\n\u2191 Flannery, D; Cottrell, S.P; King, P.J.C (1 February 2003). \"The application of the NeXus data format to ISIS muon data\" (in en). Physica B: Condensed Matter 326 (1-4): 238\u2013243. doi:10.1016\/S0921-4526(02)01613-7. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0921452602016137 .   \n \n\n\u2191 Ranganathan, Anusha; Matsuda, Asahiko; Tanifuji, Mikiko; Jones, Richard; Tanabe, Kosuke; Walk, Paul (26 November 2019). \"The Development of an Integrated Next Generation Data Repository for Materials Science\" (in en). Zenodo. doi:10.5281\/ZENODO.3553963. https:\/\/zenodo.org\/record\/3553963 .   \n \n\n\u2191 \"CC BY-NC-SA 4.0 DEED\". Creative Commons. https:\/\/creativecommons.org\/licenses\/by-nc-sa\/4.0\/ . Retrieved 14 October 2022 .   \n \n\n\u2191 Materials Data Platform Center, Kosuke Tanabe, Asahiko Matsuda, \"MDR Schema\", GitHub (National Institute for Materials Science), doi:10.48505\/nims.3239, https:\/\/github.com\/nims-dpfc\/mdr-schema . Retrieved 14 October 2022   \n \n\n\u2191 \"Create DOIs\". DataCite. 2023. https:\/\/datacite.org\/create-dois\/ .   \n \n\n\u2191 Arthur, J. (1 July 1989). \"Use of simultaneous reflections for precise absolute energy calibration of x rays\" (in en). Review of Scientific Instruments 60 (7): 2062\u20132063. doi:10.1063\/1.1140826. ISSN 0034-6748. https:\/\/pubs.aip.org\/rsi\/article\/60\/7\/2062\/347666\/Use-of-simultaneous-reflections-for-precise .   \n \n\n\u2191 Kraft, S.; St\u00fcmpel, J.; Becker, P.; Kuetgens, U. (1 March 1996). \"High resolution x-ray absorption spectroscopy with absolute energy calibration for the determination of absorption edge energies\" (in en). Review of Scientific Instruments 67 (3): 681\u2013687. doi:10.1063\/1.1146657. ISSN 0034-6748. https:\/\/pubs.aip.org\/rsi\/article\/67\/3\/681\/759470\/High-resolution-x-ray-absorption-spectroscopy-with .   \n \n\n\u2191 Bearden, J. A. (1 January 1967). \"X-Ray Wavelengths\" (in en). Reviews of Modern Physics 39 (1): 78\u2013124. doi:10.1103\/RevModPhys.39.78. ISSN 0034-6861. https:\/\/link.aps.org\/doi\/10.1103\/RevModPhys.39.78 .   \n \n\n\u2191 RDF Working Group (25 February 2014). \"RDF\". w3.org. W3C. https:\/\/www.w3.org\/RDF\/ . Retrieved 14 October 2022 .   \n \n\n\u2191 aisaac (13 December 2012). \"SKOS Simple Knowledge Organization System - Home Page\". w3.org. W3C. https:\/\/www.w3.org\/2004\/02\/skos\/ . Retrieved 14 October 2022 .   \n \n\n\u2191 Miles, A.; Bechhofer, S. (18 August 2009). \"SKOS:closeMatch\". SKOS Simple Knowledge Organization System Namespace Document - HTML Variant. W3C. https:\/\/www.w3.org\/2009\/08\/skos-reference\/skos.html#closeMatch .   \n \n\n\u2191 \"mdr: <http:\/\/dice.nims.go.jp\/ontology\/mdr-ont#>\". DICE Common Namespace. National Institute for Materials Sciencedate=2023. https:\/\/dice.nims.go.jp\/en\/ontology\/about.html#mdr .   \n \n\n\u2191 Harris, S.; Seaborne, A.; Prud'hommeaux, E. (21 March 2013). \"SPARQL 1.1 Query Language\". w3.org. W3C. https:\/\/www.w3.org\/TR\/sparql11-query\/ . Retrieved 14 October 2022 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. Several inline URLs from the original were turned into full citations for this version.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\">https:\/\/www.limswiki.org\/index.php\/Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on data management and sharingLIMSwiki journal articles on materials informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 24 October 2023, at 15:34.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 534 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","f17f0c7eee3c0de3249672f8d2cbaf53_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science rootpage-Journal_Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Integration of X-ray absorption fine structure databases for data-driven materials science<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p>With the aim of introducing data-driven science and establishing an infrastructure for making <a href=\"https:\/\/www.limswiki.org\/index.php\/X-ray_absorption_fine_structure\" title=\"X-ray absorption fine structure\" class=\"wiki-link\" data-key=\"ff56068e4a3a89d635e0d0faccf1b913\">X-ray absorption fine structure<\/a> (XAFS) <a href=\"https:\/\/www.limswiki.org\/index.php\/Spectroscopy\" title=\"Spectroscopy\" class=\"wiki-link\" data-key=\"2babfd09e1f6d00d86ad7032cbb60d91\">spectra<\/a> findable and reusable, we have integrated XAFS databases in Japan. This integrated database (MDR XAFS DB) enables cross searching of spectra from more than 2,000 <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a> and more than 700 unique materials with machine-readable <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a>. The introduction of a materials dictionary with approximately 6,000 synonyms has improved the search performance, and links with large external databases have been established. In order to compare spectra in the database, the energy calibration policies of each institution were compiled, and the energy calibration methods across institutions were shown. This clarified how to utilize the MDR XAFS DB as a knowledge base. The database created through this cross-institution initiative is a model case for the further development of databases for other methods and <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_informatics\" title=\"Materials informatics\" class=\"wiki-link\" data-key=\"4dd2125beb9794d0a679b921981f1ddc\">materials informatics<\/a> processes using them.\n<\/p><p><b>Keywords<\/b>: X-ray absorption fine structure, data integration, metadata, materials data repository, DOI, RDF\n<\/p><p><b>Graphic abstract<\/b>: <a href=\"https:\/\/www.limswiki.org\/index.php\/File:GA_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"a81c6108ed7c793c1d03814cb292be30\"><img alt=\"GA Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e6\/GA_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>While new data-driven scientific discoveries are progressing in various fields<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup>, ensuring sources of data has become a serious challenge. In particular, data collection in experimental science requires innovations due to the time-consuming tasks involved in data acquisition. There have been trials in many studies, for example, in the development of high-throughput experiments using <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory_automation\" title=\"Laboratory automation\" class=\"wiki-link\" data-key=\"0061880849aeaca05f8aa27ae171f331\">robotics<\/a> and combinatorial techniques.<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup> However, measurements that require a variety of experimental environments, such as operando<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup> and low-temperature measurements, are not always suitable for such high-throughput experiments. For the accumulation of data from experiments that require diverse environments, one possible solution is the <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_integration\" title=\"Data integration\" class=\"wiki-link\" data-key=\"fd01c635859e1d5b9583e43e31ef6718\">integration of data<\/a> through the cooperation of related researchers.<sup id=\"rdp-ebb-cite_ref-:0_6-0\" class=\"reference\"><a href=\"#cite_note-:0-6\">[6]<\/a><\/sup> Given the diverse range of users involved, the requirements for this data integration are as follows:\n<\/p>\n<ul><li>The benefits of data integration should be not only in data-driven science but also in everyday <a href=\"https:\/\/www.limswiki.org\/index.php\/Research\" title=\"Research\" class=\"wiki-link\" data-key=\"409634fd90113f119362927fe222f549\">research<\/a>.<\/li>\n<li>The data and metadata should be in as few formats as possible (ideally one format).<\/li>\n<li>The publication infrastructure should be prepared as a repository with policies for data utilization, such as the <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR Principles<\/a>. (FAIR is an acronym for \"findable, accessible, interoperable, reusable\" and is a basic guideline for the utilization of data.)<sup id=\"rdp-ebb-cite_ref-:1_7-0\" class=\"reference\"><a href=\"#cite_note-:1-7\">[7]<\/a><\/sup><\/li>\n<li>The database infrastructure should have search functionality and not just storage online.<\/li><\/ul>\n<p>The <a href=\"https:\/\/www.limswiki.org\/index.php\/X-ray_absorption_fine_structure\" title=\"X-ray absorption fine structure\" class=\"wiki-link\" data-key=\"ff56068e4a3a89d635e0d0faccf1b913\">X-ray absorption fine structure<\/a> (XAFS)<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup> discussed in this paper is a typical synchrotron radiation experimental technique that provides the atomic-level local structure (e.g., bond length, coordination number, etc.) and electronic states of a specific element by exciting its inner-shell electrons. Atomic-scale observation areas have a high commonality even if the <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a> are intended for various applications or are processed in multiple ways. In other words, many researchers across different fields\u2014including <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_science\" title=\"Materials science\" class=\"wiki-link\" data-key=\"89f5ce5de41da20cf3a2144a5731d5e6\">materials science<\/a>\u2014can discuss a single spectrum and feedback the knowledge they obtained from their samples. The establishment of a basis, by which various XAFS <a href=\"https:\/\/www.limswiki.org\/index.php\/Spectroscopy\" title=\"Spectroscopy\" class=\"wiki-link\" data-key=\"2babfd09e1f6d00d86ad7032cbb60d91\">spectra<\/a> can be superimposed and compared, activates research. We have established an infrastructure for sharing XAFS spectra by integrating XAFS databases in Japan. In this paper, we clarify the problems with integrating data and discuss the solutions attempted in this initiative.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Activities_of_XAFS_database\">Activities of XAFS database<\/span><\/h2>\n<p>In order to understand international trends in XAFS databases, we have summarized well-known data provision services outside of Japan:\n<\/p><p>1. <b>Farrel Lytle Database<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ixs.iit.edu\/database\/data\/Farrel_Lytle_data\/\" target=\"_blank\">Farrel Lytle Database<\/a> is a collection of data measured by F.W. Lytle and is probably the world\u2019s oldest and largest XAFS database operated by the International X-ray Absorption Society (IXAS). There are over 7,000 RAW data items, and PROCESSED data compressed into a standard format are also available.\n<\/p><p>2. <b>IXAS X-ray Absorption Data Library<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/xaslib.xrayabsorption.org\/elem\/\" target=\"_blank\">IXAS X-ray Absorption Data Library<\/a> is operated by IXAS and publishes 20 absorption edges, with a total of 276 spectra, measured primarily at the Advanced Photon Source (APS) and the Stanford Synchrotron Radiation Lightsource (SSRL). The unique sample type is 105. Data is stored in the XAFS Data Interchange (XDI) Format<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup>, with metadata beginning with #\u2009+\u2009Key\u2009+\u2009Value in the header. It provides superior reuse of data.\n<\/p><p>3. <b>ID21 Sulfur XANES Spectra Database<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.esrf.fr\/home\/UsersAndScience\/Experiments\/XNP\/ID21\/php.html\" target=\"_blank\">ID21 Sulfur XANES Spectra Database<\/a> represents a collection of data provided by the ID21 beamline users at the European Synchrotron Radiation Facility (ESRF). The database is particularly rich in chemical information on samples, which makes it easy to reuse data. Graphical and text data are provided. The database contains 43 inorganic and 29 organic material spectra. \n<\/p><p>In response to such XAFS database activity outside Japan, the database constructed in this initiative has successfully integrated the major XAFS databases currently available in Japan. The features of these databases are summarized below:\n<\/p><p>4. <b>BL14B2 XAFS Standard Sample Database<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/support.spring8.or.jp\/BL\/bl14b2\/xafs\/standardDB\/\" target=\"_blank\">BL14B2 XAFS Standard Sample Database<\/a>] is the largest XAFS database in Japan, owned by SPring-8 and operated by Japan Synchrotron Radiation Research Institute (JASRI). The database contains spectral data on 1,913 chemical substances. All of the measured samples are defined as \"Standard.\" For example, for commercial products, information such as the supplier and model number are included in the metadata, making them traceable. The data can also be obtained in bulk by installing the downloader software provided.\n<\/p><p>5. <b>Hokkaido University XAFS DB<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.cat.hokudai.ac.jp\/catdb\/index.php?action=xafs_login_form%26opnid=2\" target=\"_blank\">Hokkaido University XAFS DB<\/a> is the oldest XAFS database in Japan. It was developed in collaboration with the Japan XAFS Society (JXS) and is operated by the Institute for Catalysis (ICAT). Its history and operational policy are described by Asakura <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_6-1\" class=\"reference\"><a href=\"#cite_note-:0-6\">[6]<\/a><\/sup>, who point out the necessity of data integration for the XAFS community, one of the triggers for this project. Currently, approximately 300 spectral data are included in the database.\n<\/p><p>6. <b>Ritsumeikan University Soft X-ray XAFS Database<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ritsumei.ac.jp\/acd\/re\/src\/sx_xafs_db\/\" target=\"_blank\">Ritsumeikan University Soft X-ray XAFS Database<\/a>] is an open-access database from Ritsumeikan University, which has a soft X-ray synchrotron radiation facility. The database is operated by the Ritsumeikan SR Center. While most of the data are hard X-ray XAFS spectra, this database is a valuable data source that complements the spectra of light elements. Currently, 194 spectra from 98 samples are available using the following detection techniques: Total Electron Yield (TEY), Partial Electron Yield (PEY), Partial Fluorescence Yield (PFY), Inverse Partial Fluorescence Yield (IPFY), and Total Fluorescence Yield (TFY).\n<\/p><p>7. <b>Photon Factory XAFS Database<\/b>: The <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pfxafs.kek.jp\/xafsdata\/\" target=\"_blank\">Photon Factory XAFS Database<\/a>] is published by the Institute of Materials Structure Science (IMSS), which operates the Photon Factory (PF). Data are registered by facility personnel and PF users, and currently 148 spectral data are publicly available. The metadata must be parsed from the header of the data file.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Integration_of_XAFS_databases:_Issues_and_trials\">Integration of XAFS databases: Issues and trials<\/span><\/h2>\n<p>We have integrated the four above-mentioned Japanese databases in this initiative and created a new public infrastructure, the MDR XAFS DB.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> The most important function of an integrated database is cross searching, and there are two main issues in realizing this: designing and collecting metadata describing spectra and sample details, and unifying the vocabulary used in the metadata, including not only metadata items (keys) but also descriptions (values).\n<\/p><p>Since XAFS experiments are usually performed at large synchrotron radiation facilities, the conditions of the storage ring for X-ray generation and the optical system for extraction of monochromatic X-rays can almost all be automatically obtained as metadata. The problem is how to collect user-dependent metadata, such as experimental conditions, in a defined format, that is, keys and values expressing sample composition, shape, customized measurement parameters, etc., since these can be written in a variety of ways. Therefore, the format of user-dependent metadata needs to be defined and structured. Another problem is that each synchrotron radiation facility has its own metadata descriptions. In the following, such individual metadata is referred to as \"local metadata.\" Local metadata must eventually be integrated with data that is shared with other facilities. Even if the above issue is resolved, if the vocabulary used for keys and values is not unified, the search performance of the integrated database will deteriorate. In this study, we focused on the project goals of integrating XAFS spectral data and cross searches, and we found the following practical solutions to the above issues.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Design_and_collection_of_metadata\">Design and collection of metadata<\/span><\/h3>\n<p>Although the data format of XAFS spectra is based on simple columns of incidence and absorption X-ray intensities in a certain photon energy range, various formats are available. In Japan, there are 9809 (PF and SPring-8 Standard), REX<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup>, and Athena<sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup> formats, etc., that are compatible with post-experimental <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_analysis\" title=\"Data analysis\" class=\"wiki-link\" data-key=\"545c95e40ca67c9e63cd0a16042a5bd1\">data analysis<\/a> software. Metadata is placed in the header, providing the metadata necessary for analysis and some additional <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a>. However, considering data reuse, these few pieces of metadata are not sufficient, and a wide variety of metadata needs to be organized, as described below. In such cases, it is not desirable to include a few lines of metadata as a header, and it is necessary to prepare a structured metadata file separate from the data file. In other words, it is necessary to maintain the existing data file, add a structured metadata file, and consider how to use it as a new information source to achieve the desired functionality.\n<\/p><p>Here we describe the general concept of metadata and the methods we adopted to achieve this goal. Figure 1(a) conceptually shows a general metadata hierarchy (stacked metadata model). Figure 1(b) shows schematically the scale of the users of each hierarchy level. The first (top) level is metadata that is always present in any study, such as names, institutions, etc. Its users are broad, and its content is shallow and requires no specialized knowledge. The second level is large category metadata, such as specific measurements (e.g., synchrotron radiation experiments) and samples, which require a certain level of specialized knowledge and have fewer users. The third (bottom) level is metadata specific to XAFS that is highly specialized and has in-depth content with little commonality. Its users are limited to a small number of researchers in the materials field. In general, as shown in Figure 1(a), the number of metadata keys increases as the hierarchy becomes deeper, and it is necessary to handle a variety of contents. The relationship between (a) and (b) is that of a pyramid and an inverted pyramid. We believe that there is more than one way to use metadata, but the appropriate key should be used according to the purpose. It is desirable that all the keys are used for wide and shallow and narrow and deep use, as shown in Figure 1. Since the purpose of the MDR XAFS DB is a cross search, we extracted the keys in the first and second levels with a careful review, according to the purpose of the search.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"529242cbff85907db0daac27b8c0577e\"><img alt=\"Fig1 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/27\/Fig1_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> <b>(a)<\/b> Stacked metadata model with a hierarchy of keys that increase in number as they become more specialized, and <b>(b)<\/b> the scale of users at each level of the hierarchy.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>We organized local metadata as shown in Table 1. The keys are classified according to the following purposes:\n<\/p>\n<ol><li>Keys for general information<\/li>\n<li>Keys related to the reproducibility and reliability of XAFS experiments<\/li>\n<li>Keys necessary for the integration of XAFS spectrum data<\/li><\/ol>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Categorization of keys contained in local metadata.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Purpose\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Typical keys\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Use case\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">General information\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Date, Experimenter, Facility, Beamline, Method, Sample\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Comparison with other experimental data, Discovering relevant data\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reproducibility and reliability of XAFS experiments\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Monochromator, Mirror, Slit, Energy calibration, Number of measurement points, Step width, Ion chamber gas, Amplifier gain\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Accuracy evaluation, Detection limits, Reproduction of experiments, Precise analyses\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Integration of XAFS spectrum data\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Column name, Unit, Data format\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Big data creation, Statistical analysis, Machine learning\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>In the case of purpose two, it is highly specialized and not necessary for all researchers of materials, but it is essential for XAFS researchers. Therefore, purpose two corresponds to the third level in Figure 1(a). Additionally, purpose three is information necessary for recent data-driven research. That is, in order to perform big data creation, statistical analysis, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Machine_learning\" title=\"Machine learning\" class=\"wiki-link\" data-key=\"79aab39cfa124c958cd1dbcab3dde122\">machine learning<\/a>, information about the definition of the content in each column and its data format is necessary at the data merging stage. Further, since multiple data formats are mixed in the MDR XAFS DB, as mentioned above, this information is necessary for XAFS spectrum analysts.\n<\/p><p>Consequently, most of the metadata in purpose two and three are necessary for data use but not for cross searches. It is clear that general information in purpose one, e.g. beamline name, measurement technique, and sample name, is suitable for cross searches. And the number of metadata commonly handled here is likely to be less than 10. We will discuss in the next section on the construction of the MDR XAFS DB what keys to assign and uses for these general metadata, including the constraints of the actual data infrastructure.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Unification_of_vocabulary\">Unification of vocabulary<\/span><\/h3>\n<p>Examples of successful lexicon creation can be seen in <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.wikidata.org\/wiki\/Wikidata:Main_Page\" target=\"_blank\">Wikidata<\/a> projects. There, each vocabulary is uniquely managed by assigning IDs to each vocabulary in turn, and synonyms are registered to prevent vocabulary fluctuations. The National Institute for Materials Science (NIMS) has adopted a similar system to manage research vocabulary and has established the materials vocabulary platform (MatVoc)<sup id=\"rdp-ebb-cite_ref-MatVoc_14-0\" class=\"reference\"><a href=\"#cite_note-MatVoc-14\">[14]<\/a><\/sup>, which manages material names and other information using IDs called \"QIDs.\" This platform is already in use in the search system and was released to the public in January 2023. We have used this dictionary to streamline the process of checking whether the material is the same as previously registered data. Currently, this work is performed manually by the database editor, but in the future, it may be used by users to identify names when registering data, and furthermore, it may be automated by machines. Lexicographic control is extremely important for material names, which are extremely diverse in the way they are described. However, as the registration of spectra by individuals begins in the future, it is quite possible that common names and abbreviations will be included in the metadata for beamlines and facilities as well, and the importance of vocabulary management is expected to increase. In fact, as discussed later, facility and beamline policies are incorporated into the energy calibration and metadata contents, thus they can be parameters for data screening.\n<\/p><p>Furthermore, these IDs are also used as Uniform Resource Identifiers (URIs), which form a space of material-related lexicons, a namespace, and is publicly available.<sup id=\"rdp-ebb-cite_ref-DICENIMSont_15-0\" class=\"reference\"><a href=\"#cite_note-DICENIMSont-15\">[15]<\/a><\/sup> In this space, one can find the standardized name of materials and their QIDs and chemical formulas (if present). For example, the QID for tin(II) chloride dihydrate is Q2307. (<a rel=\"external_link\" class=\"external text\" href=\"https:\/\/dice.nims.go.jp\/ontology\/mdr-xafs-ont\/Item#Q2307\" target=\"_blank\">This URI<\/a> has content for Q2307 in machine-readable format.)\n<\/p><p>There are currently 713 entities registered as XAFS-related material names, and the number of synonyms is about 6,000. Within MatVoc, many materials are assigned Chemical Abstracts Service (CAS) registry numbers to manage the vocabulary in a favor of linkage with large external databases. (The mapping to external URIs and the resulting validation of data linkage are discussed further two sections from now on the contents of the MDR XAFS DB.) The details of the concept of data and vocabulary management in the project are not limited to the MDR XAFS DB but are general in nature and will be presented at another time.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Construction_of_the_MDR_XAFS_DB\">Construction of the MDR XAFS DB<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Database_policy\">Database policy<\/span><\/h3>\n<p>As described prior, earlier efforts to build XAFS databases were done individually. Taking a broad view, it can be concluded that we are in a transitional period from the past, where spectral data only need to be understood by the person who measured them, and the recent policy that aims for a cyber society where understandable metadata are added to the data and shared with many people. In fact, some databases still follow the tradition of leaving information in the file name or sample name, which should be recorded separately as metadata, to serve as a reminder to the person who recorded it. On the other hand, databases that seek to collect data systematically have machine-readable metadata, even though they cannot follow pioneering standard data formats such as NeXus.<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> Therefore, deep data linkage is possible through an interface that allows correspondence to be established. Although these differences in policies among the participating institutions were a challenge in integrating the databases, a construction policy was formulated and the integrated database MDR XAFS DB was constructed based on this policy. Here, Material Data Repository (MDR)<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup>, as the database infrastructure, is operated as part of a data platform project that has been underway at NIMS since 2017.\n<\/p><p>MDR has functions and operational policies suitable for open data in accordance with the FAIR Principles<sup id=\"rdp-ebb-cite_ref-:1_7-1\" class=\"reference\"><a href=\"#cite_note-:1-7\">[7]<\/a><\/sup>, which is becoming a fundamental concept for data utilization. Notably, data registered in the MDR is assigned a Digital Object Identifier (DOI) to enhance the visibility of the data. It also has an <a href=\"https:\/\/www.limswiki.org\/index.php\/Application_programming_interface\" title=\"Application programming interface\" class=\"wiki-link\" data-key=\"36fc319869eba4613cb0854b421b0934\">application programming interface<\/a> (API) function, which enables not only a graphical user interface (GUI) but also large data unit operations that are suitable for data-driven science. The repository in this project is divided into three main areas: publications, datasets, and collections that systematically archive data. At the time of writing this paper, approximately 1,272 publications and 2,370 datasets have been registered. Each data set in the XAFS DB is stored in the datasets area, and all data are also registered in a collection for systematic browsing. Currently, there are 15 similar systematically organized datasets, that is, collections. The MDR is an open data repository and can be used according to the license granted to each piece of data.\n<\/p><p>Considering the background so far, i.e., the requirements from the XAFS community, including the cross searches described in the prior section, and MDR\u2019s engineering abilities, we decided on the following construction policy for the MDR XAFS DB:\n<\/p>\n<ul><li>Each spectral data provided by each institution must be accompanied by a structured local metadata file in Yet Another Markup Language (YAML) format.<\/li>\n<li>Keys in the local metadata should be standardized so that the data can be searched seamlessly without being aware of the differences between data-providing institutions.<\/li>\n<li>The keys to be standardized are the names of materials, chemical formulas, absorption edges, beamline names, and monochromator crystals.<\/li>\n<li>The set of metadata and the spectral data of the sample and reference sample should be defined as \"1 Work,\" and each Work should be assigned a DOI.<\/li>\n<li>Each data providing institution is responsible for the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> and rights of the data, and data that have already been published should be used.<\/li>\n<li>The data to be released in the MDR XAFS DB should be open-access spectra and their supplementary data only, and the license should be Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0).<sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup><\/li><\/ul>\n<h3><span class=\"mw-headline\" id=\"Metadata_implementation_for_cross_searches\">Metadata implementation for cross searches<\/span><\/h3>\n<p>The policy in the prior subsection had to be consistent with the cross-search requirements discussed in the section prior to that. That is, the names of materials, chemical formulas, absorption edges, and spectrometer crystals had to be extracted from the local metadata provided in YAML format by each participating institution and then embedded in the MDR metadata. Since MDR is not a specialized repository for a specific area of materials science, it is not suitable for creating an advanced database customized for a single purpose, i.e., XAFS. On the other hand, it is advantageous for linking with other data in MDR because it integrates data from a wide range of areas that are not limited to XAFS. In any case, based on this data provision concept, the MDR has its own data structure and rules for input (schema)<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup>, so it was not possible to fit all the key values for these cross searches into the MDR metadata. For example, with beamline names there is no commonality except for synchrotron radiation experiments, and there are no applicable keys in the MDR metadata schema. Therefore, the following keys for cross searches were extracted from the local metadata of each organization and implemented as values for \"Keyword,\" which is one of the keys in the MDR metadata schema. The following is an example of keywords extracted in YAML format:\n<\/p><p><tt>subjects:\n<\/tt><\/p><p><tt>\u2013 subject: Nickel # Material name\n<\/tt><\/p><p><tt>\u2013 subject: Ni # Chemical formula\n<\/tt><\/p><p><tt>\u2013 subject: Ni K-edge # Absorption edge\n<\/tt><\/p><p><tt>\u2013 subject: Pure metal # Material superordinate\n<\/tt><\/p><p><tt>\u2013 subject: Si(111) # Monochromator crystals\n<\/tt><\/p><p><tt>\u2013 subject: BL-12C # Beamline name\n<\/tt><\/p><p><tt>\u2013 subject: Photon Factory # Data provider\n<\/tt><\/p><p><tt>\u2013 subject: XAFS # Measurement method (fixed)\n<\/tt><\/p><p><tt>\u2013 subject: collection \u2013 MDR XAFS DB # Identification of collection (fixed)<\/tt>\n<\/p><p>The comment text after the \"#\" is for ease of understanding for the reader and the definition of the value. Although metadata keys should be precisely defined, the polymorphic key \"Subject\" is utilized here. This is because it follows DataCite\u2019s schema for obtaining DOIs<sup id=\"rdp-ebb-cite_ref-DCCreateDOIs_20-0\" class=\"reference\"><a href=\"#cite_note-DCCreateDOIs-20\">[20]<\/a><\/sup>, but it should be noted that this key is used only for the index for cross-search in MDR. As described below, we have demonstrated that these simplified keys are sufficient for screening data. When cross-searching many fields, the use of a univocal key may inadvertently limit the search target. The advantage of the MDR keyword function is that users can filter the data by sequentially selecting these keys. For example, selecting \"Absorption edge\" filters out relevant excitation elements, followed by \"Material superordinate\" to obtain to the desired material system. Here, the vocabulary used in the keywords should be the nomenclature as described in the prior section so that users can search the data seamlessly regardless of the institutions registered. Furthermore, it is also possible to select an institution by choosing \"Data provider\" in the keywords.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Database_management\">Database management<\/span><\/h3>\n<p>These cross-institutional initiatives require systematic database management. This section describes how data are registered, assigned DOIs, and maintained. As shown in Figure 2, data registration begins with the submission of spectral data and local metadata including necessary information, such as data provider information and rights statements. Registration is completed when it is confirmed the registration data are displayed correctly on the test server. Within MDR, after the DOI is issued via electronic submission, the data is added to the MDR XAFS DB in the MDR Collection and eventually released to the public. The cross-search keywords described in the prior subsection are also used to obtain DOIs and are the target of searches by DataCite, an organization that grants DOIs for research data. Automating and simplifying the registration procedure make it easier for users to register data directly in the future. Data registration is a joint initiative of materials scientists, engineers in charge of MDR, and service team members to handle data from the data-providing institutions that have contracts with NIMS. The contract procedure guarantees the legality of data use, and the names of these responsible institutions also appear in the keywords mentioned above. The granting of a DOI makes spectral data not just stored data but also carries with it the responsibility of publication. For example, due to the persistence of DOIs, if a serious error is found, a tombstone page is created indicating the reason for the error. Indeed, tombstone pages have been created for seven spectral data so far. This situation is undesirable, and further consideration should be given to how much effort needs to be devoted to the peer review of registration data.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"f3b89dcc7bf9dcdf5fcbc55b648e7c77\"><img alt=\"Fig2 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/d\/d7\/Fig2_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> Spectra registration flow for publication in MDR XAFS.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h2><span class=\"mw-headline\" id=\"Contents_of_the_MDR_XAFS_DB\">Contents of the MDR XAFS DB<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Statistics\">Statistics<\/span><\/h3>\n<p>As of September 2022, the statistical information of the MDR XAFS DB, which was created by integrating the databases of the four institutions described above, is as follows:\n<\/p>\n<ul><li>Total number of data: 2,174 (contains seven invalidated data with DOIs)<\/li>\n<li>Total number of absorption edges: K-edge 1,310 and L-edge 864<\/li>\n<li>Unique absorption edges: K-edge 47 and L-edge 23<\/li>\n<li>Unique materials: 713<\/li><\/ul>\n<p>Figure 3 summarizes the number of K-edge (a) and L-edge data (b), respectively, in histograms. As shown in these figures, the number of absorption edges is more than 100 spectra at the NiK-edge and W L-edge to the unregistered edge. In these figures, the number of highly monochromatic incident X-ray measurements using Si(311) as the monochromator crystal are also shown in the line graph. Approximately 45 percent of the K-edge and 30 percent of the L-edge are high-resolution spectral measurements, and the MDR XAFSDB can easily filter these high-resolution spectra using the keyword \"Si(311).\"\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"0e8a5bbdc2306a80b4328c90eb4d8529\"><img alt=\"Fig3 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/2e\/Fig3_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 3.<\/b> Number of data for <b>(a)<\/b> K-absorption edge and <b>(b)<\/b> L-absorption edge shown in histograms.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Figure 4 shows the number of registered absorption edges sorted in descending order of number. The inset shows the top 10 absorption edges marked in yellow in the figure and their spectral numbers for both K-edge and L-edge. (More detailed registration numbers are listed on the MDR XAFS DB <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/mdr.nims.go.jp\/concern\/datasets\/vh53wz94c\" target=\"_blank\">ReadMe page<\/a>.) The accumulation is also shown. The results show that 90 percent of spectra are covered by 24 elements in K-edge and 13 elements in L-edge, which roughly correspond to 50 percent of the major absorption edges, indicating that there are many absorption edges with low registration numbers. Ideally, these curves should increase linearly or follow a curve according to a strategic spectrum collection plan. We are considering extending the K-edge spectrum to the Zn-Zr region, where a gap is seen in Figure 3(a), and the L-edge spectrum to lighter elements. Establishing a cooperative system in the community, such as by supplying samples to participating institutions, is also desirable.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig4_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"53cd233fc3cd8e164d7e994cbd1f8272\"><img alt=\"Fig4 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/af\/Fig4_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 4.<\/b> Number of absorption edge spectra registered in the MDR XAFS DB sorted in descending order and their accumulation.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Metadata_analysis\">Metadata analysis<\/span><\/h3>\n<p>In this project, we have conducted a sample nomenclature with an emphasis on linking with other material data. However, in practical terms it is not sufficient to only use nomenclatures. Instead, it is necessary to map with more general external information, for example, linking with the ID of a well-known large external database or providing detailed product information. Therefore, we investigated the keys related to samples in the local metadata of each data-providing institution. The metadata keys related to the samples and their numbers for the four institutions are summarized in Table 2. Since the names of the keys in the local metadata of each institution are not unified at this time, keys with the same meaning are placed on the same line.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"8\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Metadata keys related to samples and the number of keys.\n<\/td><\/tr>\n<tr>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">JASRI\n<\/th>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Ritsumeikan University\n<\/th>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Hokkaido University\n<\/th>\n<th colspan=\"2\" style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">KEK\n<\/th><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Key\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Number of value\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Key\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Number of value\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Key\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Number of value\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Key\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Number of value\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">name\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1757\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">name\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">75\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">name\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">206\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">name\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">136\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">chemical_formula\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1684\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">chemical_formula\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">75\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">chemical_formula\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">206\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">chemical_formula\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">121\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CAS_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">68\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CAS_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">169\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">supplier\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1753\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">manufacturer\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">31\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">manufacturer\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">model_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1737\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Product_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">24\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">product_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">lot_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1715\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">sample_lot_number\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">16\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">additional_data\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">75\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">additional_metadata\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">121\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">additional_data\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">62\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Total<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8646\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Total<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">354\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Total<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">702\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Total<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">322\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Average<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4.920\/work\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Average<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4.853\/work\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Average<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3.408\/work\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Average<\/b>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2.368\/work\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>As summarized in Table 2 and the following paragraphs and beyond, it is clear that each facility has its own characteristics. Local metadata about the sample is entered using a user interface provided by the facility and merged with facility-specific metadata (e.g., storage ring current) and beamline metadata (e.g., optical element settings). In other words, metadata is not designed by individual users. Considering that once metadata is established, it will be used by many users, it is important to recognize that the characteristics will have a significant impact on the MDR XAFS DB.\n<\/p><p>In SPring-8, the metadata keys are designed to focus on identifying individual samples rather than linking with external databases. Therefore, information such as supplier, model number, and lot number is attached to almost all samples. In this way, each sample should have a well-defined individual ID along with a nomenclature ID. This process leads to complete data management, such that each study sample is traceable and retains its provenance and related properties. The average number of metadata on samples per work (hereafter referred to as the average number of metadata) is the highest at 4.92 per work. Here, it is necessary to explain why there are fewer chemical formulas than the number registered. In this database, there are registered samples, such as alloys and composites, that have names but no identification chemical formula. To the best of our knowledge, there are no data where the registrant forgot to include the chemical formula, so we conclude that the lack of a chemical formula does not prevent the use of the data.\n<\/p><p>Unlike SPring-8, Ritsumeikan University has set up metadata keys that can be linked to external databases. In fact, more than 90 percent of the registered data have CAS registry numbers. In addition, all samples are provided with additional data that is needed to understand the experiments. Reflecting the fact that the measurements are made with soft X-rays and not transmissions, the sample shape information, such as \"powder on carbon tape,\" is provided. The average number of metadata is 4.85 per work, which is comparable to that of SPring-8. All samples from Ritsumeikan University have chemical formulas.\n<\/p><p>Metadata for Hokkaido University and KEK were extracted from sample names freely written by users. In many cases, sample names incorporate experimental conditions in addition to the substance names and are written in original, non-standardized notations. For example, \"SUS316L Ni K-edge 18.2 K\" is a typical example\u3000of an original sample name. Although experts, or those who did the experiment, can generally guess the meaning, the metadata creation method needs to be improved for future usage by third persons and computers that perform machine-learning analysis. The Japanese Society for Synchrotron Radiation Research (JSSRR) and JXS are currently working on a unified metadata format, and it is expected that users will provide the values (sample names) in the standardized metadata keys by themselves at the time of experiments in the future. The sharing of these issues with the XAFS community in the framework of the MDR XAFS DB project is expected to have a positive effect on data registration and cross-disciplinary data integration going forward. The average number of metadata for the Hokkaido University and KEK are 3.41 and 2.37 per work, respectively. For the data from Hokkaido University, 80 percent of the extracted substance names were manually assigned CAS registry numbers in this project.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Energy_calibration\">Energy calibration<\/span><\/h3>\n<p>The most important issue in XAFS measurements is the lack of a clearly defined absolute photon energy. When discussing fine structural details, such as peak attribution in X-ray absorption near edge structure (XANES) spectra, a comparison of various compounds is necessary. At the minimum, the relative energy relationship must be explicitly defined. In the MDR XAFS DB, where there are many independent registrants and measurers, it is inherently desirable to have a common energy standard. While an absolute energy calibration method using \"glitches\" in the spectra caused by multiple-beam diffraction<sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup>, highly accurate energy identification attempts<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup>, and well-organized historical tables<sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup> have been proposed, MDR XAFS DB adopts the relative energy calibration method using standard samples. In fact, this is because the absolute energy of any absorption edge has not been determined at this time. On the other hand, as shown below, there are no standardized guidelines for relative energy calibration, and data suppliers provide their own energy calibration methods.\n<\/p><p>All soft X-ray spectra provided by Ritsumeikan University adopt a method of calibrating a characteristic peak to a defined energy. An example of the definition of that energy calibration in local metadata in YAML format is shown below:\n<\/p><p><tt>measurement:\n<\/tt><\/p><p><tt>energy_calibration:\n<\/tt><\/p><p><tt>\u2013 standard_sample: alpha-Al2O3\n<\/tt><\/p><p><tt>calibration_position: white line peak maximum\n<\/tt><\/p><p><tt>energy: 1567.71\n<\/tt><\/p><p><tt>energy_unit: eV<\/tt>\n<\/p><p>This machine-readable metadata states that the energy of the white line peak of alpha-Al2O3 was set to 1567.71\u2009eV for this measurement.\n<\/p><p>In all hard X-ray spectra provided by JASRI, metallic foils stable in air are used as reference samples. In cases where no suitable metallic foil is available, metallic powders, oxides, or metallic foils with adjacent absorption edge energies are used. This procedure is well established, so that all spectra provided by JASRI for the same absorption edge and the same monochromator crystal are uniquely calibrated. The spectra are not simply measured relative to a standard sample but are calibrated in a similar way to Ritsumeikan University, as follows:\n<\/p>\n<ul><li>For the Cu K-edge, the pre-edge peak is set to E\u2009=\u20098980.23\u2009eV.<\/li>\n<li>When measuring absorption edges other than the Cu K-edge, energy calibration at the Cu K-edge should be performed first.<\/li>\n<li>If the energy of the absorption edge to be measured differs significantly from the value in the literature, then energy calibration is performed again using the value.<\/li><\/ul>\n<p>Many of the spectral data provided by Hokkaido University are attached to reference spectra, and although there is no prescribed calibration procedure, it is possible to compare spectra using a single energy axis at many absorption edges.\n<\/p><p>Therefore, as shown in the actual example of the Cu K-edge in Figure 5, (a) if we consider only the JASRI data, spectra of various materials can be shown in the same figure as is, and (b) with the Hokkaido University data, multiple spectra can be superimposed by appropriate calibration. However, as can be seen from the energy axis, there is no common reference point for both institutions. And when merging data, it would be ideal to use a common reference sample and calibrate the data before registration in the database. Figure 5 plots the data for each institution, but in this example, the Cu foil could be the common reference sample. Strictly speaking, the reference samples need to be identical and not just have the same material. But the limitations of such a method should be understood, due to the characteristics of each facility, beamline, and instant of X-rays.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig5_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"b38dd58595d27eec076271d573d19fa0\"><img alt=\"Fig5 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/79\/Fig5_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 5.<\/b> Examples of Cu K-edge spectra provided by <b>(a)<\/b> JASRI and <b>(b)<\/b> Hokkaido University.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Figure 6 shows the results of verifying this limitation using the actual spectra of Cu foils in the MDR XAFS DB, where first derivative d\u03bct\/dE spectra of Cu K-edge data provided by JASRI, Hokkaido University, and KEK are superimposed by applying two different methods of energy offsets. Figure 6(a) shows where the pre-edge peaks are aligned, and Figure 6(b) shows where the pre-edge leading edges (the first peak of d\u03bct\/dE spectra) are aligned. Since this figure is a differential spectrum, the energy at zero on the vertical axis E(d\u03bct\/dE\u2009=\u20090) indicates the peak or dip in the original XAFS spectrum. Here, Hokkaido University, KEK, and JASRI data are labeled with Hok, KEK, and SP8, respectively.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig6_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" class=\"image wiki-link\" data-key=\"2911bad556cd830710a79f48a29d15d3\"><img alt=\"Fig6 Ishii SciTechAdvMatMeth2023 3-1.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/9\/91\/Fig6_Ishii_SciTechAdvMatMeth2023_3-1.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 6.<\/b> Comparison of two energy offset methods, <b>(a)<\/b> pre-edge peak and <b>(b)<\/b> leading edge alignments. (The inset shows the difference in photon energy at the peaks and dips.) <b>(c)<\/b> Result of the proposed method, i.e., energy correction that makes the sum of \u0394Es zero.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The inset summarizes the energy difference at E(d\u03bct\/dE\u2009=\u20090) for each of Hok and KEK from that of SP8. The energy difference with respect to SP8 is denoted as \u0394E. The inset also shows the Cu K-edge XAFS spectrum as a dashed line, which shows which peak (dip) corresponds to which E(d\u03bct\/dE\u2009=\u20090). \n<\/p><p>From these figures, the following can be understood. First, the \u0394E averaged over Hok and KEK together for Figures 6(a,b) were 0.37\u2009eV and 0.14\u2009eV, respectively, as indicated by the auxiliary lines in the inset. The absolute values are larger in Figure 6(a), indicating that the energy calibration of the three spectra is not as well done as for Figure 6(b). This means that the commonly used method of aligning pre-edge peaks is not always optimal. Second, the pre-edge peaks have a large influence as a factor that makes \u0394E large. In fact, the width of \u0394E, i.e., the difference between its maximum and minimum values, is 0.62\u2009eV and 0.75\u2009eV in Figures 6(a,b), respectively. But it is 0.34\u2009eV and 0.40\u2009eV if the pre-edge peaks and dips are not included. This fact suggests that the electronic state of the pre-edge is sensitive to variations in individual samples, as well as to the intrinsic properties of Cu.\n<\/p><p>An example of an optimal method other than the offset using pre-edge peaks is shown in Figure 6(c). When a differential spectrum, as shown in Figure 6, is obtained, several \u0394Es with the spectrum to be compared are obtained in the energy range to be analyzed, as shown in the inset. The offset energy, which gives the sum of these \u0394Es zero, is considered to be plausible as a calibration. In fact, in Figure 6(c), the offset energies of Hok and KEK are 29.40\u2009eV and 0.030\u2009eV, respectively, to reduce the difference from SP8. In order to increase the reliability of the integrated XAFS database, it may be necessary to standardize the preparation and management of reference samples and X-ray beam monitoring methods.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Data_federation\">Data federation<\/span><\/h3>\n<p>The Resource Description Framework (RDF) is an international model for data federation.<sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup> This method of representing information as a \"triple,\" the subject, predicate, and object, has been adopted in <a href=\"https:\/\/www.limswiki.org\/index.php\/Biotechnology\" title=\"Biotechnology\" class=\"wiki-link\" data-key=\"115005039d4cf0b4ef55ec14dc6d66da\">biotechnology<\/a> for more than a decade. To facilitate data reuse in materials science, we have implemented RDF-based Semantic Web data linking the MDR XAFS DB. The federated RDF for connecting with huge external databases that is published in RDF format is available at the MDR XAFS DB <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/mdr.nims.go.jp\/concern\/datasets\/vh53wz94c\" target=\"_blank\">readme page<\/a>. Here, data are described in triples using the SKOS (Simple Knowledge Organization System), an internationally standardized predicate for knowledge organizations.<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup>\n<\/p><p>This federated RDF describes connecting the QIDs of the aforementioned materials dictionary to the Compound IDs of <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/\" target=\"_blank\">PubChem<\/a>, a huge and well-known database, with the predicate SKOS:closeMatch. Here, the strictness of RDF can be understood from the fact that the definition of this predicate, SKOS:closeMatch<sup id=\"rdp-ebb-cite_ref-W3SKOScm_26-0\" class=\"reference\"><a href=\"#cite_note-W3SKOScm-26\">[26]<\/a><\/sup>, is given in the linkage with SKOS and is replaced by the namespace shown in Appendix B. Using this RDF and the definition of MDR\u2019s Work<sup id=\"rdp-ebb-cite_ref-MDROnt_27-0\" class=\"reference\"><a href=\"#cite_note-MDROnt-27\">[27]<\/a><\/sup>, we can combine XAFS spectra with DOI in MDR and SMILES (Simplified Molecular Input Line Entry System) and the molecular weight in PubChem into one table using the following SPARQL (SPARQL Protocol and RDF Query Language)<sup id=\"rdp-ebb-cite_ref-28\" class=\"reference\"><a href=\"#cite_note-28\">[28]<\/a><\/sup> query, where <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/integbio.jp\/en\/\" target=\"_blank\">integbio<\/a> is used as the endpoint for PubChem.\n<\/p><p><tt>SELECT distinct ?label ?url ?smiles ?mw\n<\/tt><\/p><p><tt>WHERE {\n<\/tt><\/p><p><tt>?qid skos:closeMatch ?cid;\n<\/tt><\/p><p><tt>rdfs:label ?label.\n<\/tt><\/p><p><tt>?mdr obo:RO_0000057 ?qid;\n<\/tt><\/p><p><tt>rdfs:seeAlso ?url.\n<\/tt><\/p><p><tt>SERVICE <<a rel=\"external_link\" class=\"external free\" href=\"https:\/\/integbio.jp\/rdf\/pubchem\/sparql\" target=\"_blank\">https:\/\/integbio.jp\/rdf\/pubchem\/sparql<\/a>>;{\n<\/tt><\/p><p><tt>?cid sio:has-attribute ?attribute.\n<\/tt><\/p><p><tt>?attribute a sio:CHEMINF_000376;\n<\/tt><\/p><p><tt>sio:has-value ?smiles.\n<\/tt><\/p><p><tt>?cid sio:has-attribute ?attribute2.\n<\/tt><\/p><p><tt>?attribute2 a sio:CHEMINF_000338;\n<\/tt><\/p><p><tt>sio:has-value ?mw.\n<\/tt><\/p><p><tt>}\n<\/tt><\/p><p><tt>} order by ?mw<\/tt>\n<\/p><p>The URIs of each namespace represented by prefixes such as \"rdfs\": in this SPARQL and the variables used are summarized in Appendix B.\n<\/p><p>For example, the XAFS spectra of 49 organic compounds were linked to PubChem using skos:closeMatch, and SMILES and molecular weight information were added to these XAFS spectra. Since these organic compounds are organometallics covering almost all the major absorption edges shown in the inset of Figure 4, 1,185 spectra can be used to discuss electronic states and structures with the PubChem reference data. Most of them are inorganic materials, but the comparison of electronic states using spectra provides a connection between organic and inorganic materials. One of the advantages of XAFS is that it can make links between these large material differences, and the MDR XAFS DB extends this advantage with Semantic Web technology.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Issues_to_be_resolved\">Issues to be resolved<\/span><\/h2>\n<p>Below is a summary by the JXS of the remaining issues:\n<\/p>\n<ul><li>While standard sample data collected systematically by participating institutions are easy to release, several barriers remain for the release of a wide variety of data provided by users, for example, how to deal with rights, such as data possession or how to describe metadata for special samples.<\/li><\/ul>\n<ul><li>How to maintain the quality of the data and whether to set criteria for data publication are two other issues. At a minimum, it is necessary to follow the database policy described prior, but it does not include <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a>. Ideally, it is better to register only data that can be used reliably by anyone for any purpose, but it is difficult to determine the criteria for judging the reliability of data. Therefore, we have to decide how to create an equitable review process.<\/li><\/ul>\n<ul><li>How to design a unified metadata format across institutions and fill it in efficiently is another issue. It is not easy to create a unified metadata format that covers all the various XAFS methods, and there is no guarantee that everyone will follow that format. Although a minimal mapping and naming of metadata, as in the MDR XAFS DB, is useful for cross searches, we have not found a way to write machine-readable metadata, as discussed in Table 1, that fully guarantee the reproducibility and reliability of the experiments.<\/li><\/ul>\n<ul><li>How should the metadata of multi-dimensional data, such as time-resolved and micro-XAFS imaging data, be described and stored? MDR XAFS DB allows a variety of data formats. In fact, many of the registered metadata contain definitions of the formats used. However, when data formats for multi-dimensional methods are implemented, the definitions cannot be fully described in the metadata, and the guarantee that all data can be reused is rapidly lost. A common data format needs to be created to ensure database usability.<\/li><\/ul>\n<p>These issues will continue to be discussed, but the most important thing is to develop a culture of open data and show the specific benefits in return. We expect that these issues will be resolved sequentially as the MDR XAFS DB initiative moves forward.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusion\">Conclusion<\/span><\/h2>\n<p>Four Japanese institutions have collaborated to integrate XAFS spectral databases. More than 2,000 spectral data have been integrated in the photon energy range from soft to hard X-rays. The database MDR XAFS DB has achieved seamless cross searchability with the use of sample nomenclature so that database users do not have to be aware of the differences in the local metadata of the facilities that provide the data. The introduction of Semantic Web technologies also demonstrated the potential for collaborative use with external data. However, there are still issues to be resolved, such as the acceptance of multidimensional data by time- and space-resolved measurements and unification of metadata, which is necessary for more domain-specific use. The culture of open data has not yet been established in materials science, but we hope that this initiative will be a trigger to promote the utilization of materials data.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Appendices\">Appendices<\/span><\/h2>\n<p><b>Appendix A<\/b>: A list of DOIs for the spectra used in this paper is summarized below (Table A1).\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table A1.<\/b> List of DOI for the XAFS spectra used in Figures 5 and 6.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Figure\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Material\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">DOI\n<\/th><\/tr>\n<tr>\n<td rowspan=\"5\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">5(a)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu(NO3)2_3H2O\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.2028\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.2028<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CuSO4_5H2O\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.1786\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.1786<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CuO\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.1767\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.1767<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu2O\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.2026\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.2026<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu foil\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.1759\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.1759<\/a>\n<\/td><\/tr>\n<tr>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">5(b)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CuO\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3543\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3543<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu2O\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3544\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3544<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3543\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3543<\/a><br \/><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3544\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3544<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cu\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3544\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3544<\/a><br \/><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.3672\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.3672<\/a><br \/><a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.48505\/nims.1759\" target=\"_blank\">https:\/\/doi.org\/10.48505\/nims.1759<\/a>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><b>Appendix B<\/b>: URIs of each namespace represented by prefixes in SPARQL, discussed in the context of data federation, are summarized as follows (Table B1):\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table B1.<\/b> URI list for SPARQL used for data federation.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Prefix\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">URI\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">compound\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">obo\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">rdfs\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">sio\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">skos\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>This SPARQL query is based on the schema defined in <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a> and the schema published in PubChem <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/\" target=\"_blank\">http:\/\/rdf.ncbi.nlm.nih.gov\/pubchem\/compound\/<\/a>. The variable definitions used in the query are as follows (Table B2):\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table B2.<\/b> Variable list for SPARQL used for the data federation URI list for SPARQL.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Parameter\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Definition\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?label\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Name of the material as defined in our material dictionary\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?qid\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">QID of the material\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?cid\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Compound ID of the material (PubChem data)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?url\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">URL of the spectral data of the material\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?attribute\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The name of a property attributed to the CID. Here, it means SMILES.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?smiles\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SMILES of the material (PubChem data)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?attribute2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The name of a property attributed to the CID. Here, it means molecular weight.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">?mw\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Molecular weight of the material (PubChem data)\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The contents of the query, which are translated into human-readable format, are as follows:\n<\/p><p>Get the PubChem Compound ID and the MDR XAFS DB URI of the corresponding material (including reference samples) while obtaining the SMILES and molecular weight of the material from PubChem.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>This research was supported by the TIA collaborative research program \"Kakehashi,\" JSPS KAKENHI Grant Number 21K18024, and Grant-in-Aid for Transformative Research Areas (A) 22H05109 by JSPS, Japan. We also thank H. Nagao, H. Yoshikawa, M. Kanzaki, M. Shimizu, and K. Inaishi for their technical support.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>The work was supported by the Japan Society for the Promotion of Science [21K18024,22H05109]; Tsukuba Innovation Arena (TIA) [2022 Kakehashi_#32].\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflict_of_interest\">Conflict of interest<\/span><\/h3>\n<p>No potential conflict of interest was reported by the author(s).\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Hey, Anthony J. G., ed. (2009). <i>The fourth paradigm: data-intensive scientific discovery<\/i>. Redmond, Washington: Microsoft Research. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-9825442-0-4.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=The+fourth+paradigm%3A+data-intensive+scientific+discovery&rft.date=2009&rft.place=Redmond%2C+Washington&rft.pub=Microsoft+Research&rft.isbn=978-0-9825442-0-4&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-2\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-2\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pyzer-Knapp, Edward O.; Pitera, Jed W.; Staar, Peter W. J.; Takeda, Seiji; Laino, Teodoro; Sanders, Daniel P.; Sexton, James; Smith, John R. <i>et al.<\/i> (26 April 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-022-00765-z\" target=\"_blank\">\"Accelerating materials discovery using artificial intelligence, high performance computing and robotics\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>8<\/b> (1): 84. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-022-00765-z\" target=\"_blank\">10.1038\/s41524-022-00765-z<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-022-00765-z\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-022-00765-z<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accelerating+materials+discovery+using+artificial+intelligence%2C+high+performance+computing+and+robotics&rft.jtitle=npj+Computational+Materials&rft.aulast=Pyzer-Knapp&rft.aufirst=Edward+O.&rft.au=Pyzer-Knapp%2C%26%2332%3BEdward+O.&rft.au=Pitera%2C%26%2332%3BJed+W.&rft.au=Staar%2C%26%2332%3BPeter+W.+J.&rft.au=Takeda%2C%26%2332%3BSeiji&rft.au=Laino%2C%26%2332%3BTeodoro&rft.au=Sanders%2C%26%2332%3BDaniel+P.&rft.au=Sexton%2C%26%2332%3BJames&rft.au=Smith%2C%26%2332%3BJohn+R.&rft.au=Curioni%2C%26%2332%3BAlessandro&rft.date=26+April+2022&rft.volume=8&rft.issue=1&rft.pages=84&rft_id=info:doi\/10.1038%2Fs41524-022-00765-z&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-022-00765-z&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-3\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-3\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Vaucher, Alain C.; Zipoli, Federico; Geluykens, Joppe; Nair, Vishnu H.; Schwaller, Philippe; Laino, Teodoro (17 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41467-020-17266-6\" target=\"_blank\">\"Automated extraction of chemical synthesis actions from experimental procedures\"<\/a> (in en). <i>Nature Communications<\/i> <b>11<\/b> (1): 3601. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41467-020-17266-6\" target=\"_blank\">10.1038\/s41467-020-17266-6<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2041-1723\" target=\"_blank\">2041-1723<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7367864\/\" target=\"_blank\">PMC7367864<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32681088\" target=\"_blank\">32681088<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41467-020-17266-6\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41467-020-17266-6<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Automated+extraction+of+chemical+synthesis+actions+from+experimental+procedures&rft.jtitle=Nature+Communications&rft.aulast=Vaucher&rft.aufirst=Alain+C.&rft.au=Vaucher%2C%26%2332%3BAlain+C.&rft.au=Zipoli%2C%26%2332%3BFederico&rft.au=Geluykens%2C%26%2332%3BJoppe&rft.au=Nair%2C%26%2332%3BVishnu+H.&rft.au=Schwaller%2C%26%2332%3BPhilippe&rft.au=Laino%2C%26%2332%3BTeodoro&rft.date=17+July+2020&rft.volume=11&rft.issue=1&rft.pages=3601&rft_id=info:doi\/10.1038%2Fs41467-020-17266-6&rft.issn=2041-1723&rft_id=info:pmc\/PMC7367864&rft_id=info:pmid\/32681088&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41467-020-17266-6&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-4\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-4\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Jandeleit, B.; 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J.; Powers, T. S.; Turner, H. W.; Weinberg, W. H. (1 September 1999). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/10508328\" target=\"_blank\">\"Combinatorial Materials Science and Catalysis\"<\/a>. <i>Angewandte Chemie (International Ed. in English)<\/i> <b>38<\/b> (17): 2494\u20132532. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1521-3773\" target=\"_blank\">1521-3773<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/10508328\" target=\"_blank\">10508328<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/10508328\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/10508328<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Combinatorial+Materials+Science+and+Catalysis&rft.jtitle=Angewandte+Chemie+%28International+Ed.+in+English%29&rft.aulast=Jandeleit&rft.aufirst=B.&rft.au=Jandeleit%2C%26%2332%3BB.&rft.au=Schaefer%2C%26%2332%3BD.+J.&rft.au=Powers%2C%26%2332%3BT.+S.&rft.au=Turner%2C%26%2332%3BH.+W.&rft.au=Weinberg%2C%26%2332%3BW.+H.&rft.date=1+September+1999&rft.volume=38&rft.issue=17&rft.pages=2494%E2%80%932532&rft.issn=1521-3773&rft_id=info:pmid\/10508328&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F10508328&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-5\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-5\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Nurk, G.; Huthwelker, T.; Braun, A.; Ludwig, Chr.; Lust, E.; Struis, R.P.W.J. (1 October 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0378775313006009\" target=\"_blank\">\"Redox dynamics of sulphur with Ni\/GDC anode during SOFC operation at mid- and low-range temperatures: An operando S K-edge XANES study\"<\/a> (in en). <i>Journal of Power Sources<\/i> <b>240<\/b>: 448\u2013457. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jpowsour.2013.03.187\" target=\"_blank\">10.1016\/j.jpowsour.2013.03.187<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0378775313006009\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0378775313006009<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Redox+dynamics+of+sulphur+with+Ni%2FGDC+anode+during+SOFC+operation+at+mid-+and+low-range+temperatures%3A+An+operando+S+K-edge+XANES+study&rft.jtitle=Journal+of+Power+Sources&rft.aulast=Nurk&rft.aufirst=G.&rft.au=Nurk%2C%26%2332%3BG.&rft.au=Huthwelker%2C%26%2332%3BT.&rft.au=Braun%2C%26%2332%3BA.&rft.au=Ludwig%2C%26%2332%3BChr.&rft.au=Lust%2C%26%2332%3BE.&rft.au=Struis%2C%26%2332%3BR.P.W.J.&rft.date=1+October+2013&rft.volume=240&rft.pages=448%E2%80%93457&rft_id=info:doi\/10.1016%2Fj.jpowsour.2013.03.187&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0378775313006009&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-6\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_6-0\">6.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_6-1\">6.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Asakura, Kiyotaka; Abe, Hitoshi; Kimura, Masao (1 July 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/29979157\" target=\"_blank\">\"The challenge of constructing an international XAFS database\"<\/a>. <i>Journal of Synchrotron Radiation<\/i> <b>25<\/b> (Pt 4): 967\u2013971. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1600577518006963\" target=\"_blank\">10.1107\/S1600577518006963<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1600-5775\" target=\"_blank\">1600-5775<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/6038598\/\" target=\"_blank\">6038598<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29979157\" target=\"_blank\">29979157<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/29979157\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/29979157<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+challenge+of+constructing+an+international+XAFS%C2%A0database&rft.jtitle=Journal+of+Synchrotron+Radiation&rft.aulast=Asakura&rft.aufirst=Kiyotaka&rft.au=Asakura%2C%26%2332%3BKiyotaka&rft.au=Abe%2C%26%2332%3BHitoshi&rft.au=Kimura%2C%26%2332%3BMasao&rft.date=1+July+2018&rft.volume=25&rft.issue=Pt+4&rft.pages=967%E2%80%93971&rft_id=info:doi\/10.1107%2FS1600577518006963&rft.issn=1600-5775&rft_id=info:pmc\/6038598&rft_id=info:pmid\/29979157&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F29979157&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-7\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_7-0\">7.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_7-1\">7.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, IJsbrand Jan; Appleton, Gabrielle; Axton, Myles; Baak, Arie; Blomberg, Niklas; Boiten, Jan-Willem <i>et al.<\/i> (15 March 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/sdata201618\" target=\"_blank\">\"The FAIR Guiding Principles for scientific data management and stewardship\"<\/a> (in en). <i>Scientific Data<\/i> <b>3<\/b> (1): 160018. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fsdata.2016.18\" target=\"_blank\">10.1038\/sdata.2016.18<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4792175\/\" target=\"_blank\">PMC4792175<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26978244\" target=\"_blank\">26978244<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/sdata201618\" target=\"_blank\">https:\/\/www.nature.com\/articles\/sdata201618<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+FAIR+Guiding+Principles+for+scientific+data+management+and+stewardship&rft.jtitle=Scientific+Data&rft.aulast=Wilkinson&rft.aufirst=Mark+D.&rft.au=Wilkinson%2C%26%2332%3BMark+D.&rft.au=Dumontier%2C%26%2332%3BMichel&rft.au=Aalbersberg%2C%26%2332%3BIJsbrand+Jan&rft.au=Appleton%2C%26%2332%3BGabrielle&rft.au=Axton%2C%26%2332%3BMyles&rft.au=Baak%2C%26%2332%3BArie&rft.au=Blomberg%2C%26%2332%3BNiklas&rft.au=Boiten%2C%26%2332%3BJan-Willem&rft.au=da+Silva+Santos%2C%26%2332%3BLuiz+Bonino&rft.date=15+March+2016&rft.volume=3&rft.issue=1&rft.pages=160018&rft_id=info:doi\/10.1038%2Fsdata.2016.18&rft.issn=2052-4463&rft_id=info:pmc\/PMC4792175&rft_id=info:pmid\/26978244&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fsdata201618&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kincaid, Brain M.; 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(2 June 1975). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.34.1361\" target=\"_blank\">\"Synchrotron Radiation Studies of the K -Edge Photoabsorption Spectra of Kr, Br 2 , and Ge Cl 4 : A Comparison of Theory and Experiment\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>34<\/b> (22): 1361\u20131364. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.34.1361\" target=\"_blank\">10.1103\/PhysRevLett.34.1361<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.34.1361\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.34.1361<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Synchrotron+Radiation+Studies+of+the+K+-Edge+Photoabsorption+Spectra+of+Kr%2C+Br+2+%2C+and+Ge+Cl+4+%3A+A+Comparison+of+Theory+and+Experiment&rft.jtitle=Physical+Review+Letters&rft.aulast=Kincaid&rft.aufirst=Brain+M.&rft.au=Kincaid%2C%26%2332%3BBrain+M.&rft.au=Eisenberger%2C%26%2332%3BP.&rft.date=2+June+1975&rft.volume=34&rft.issue=22&rft.pages=1361%E2%80%931364&rft_id=info:doi\/10.1103%2FPhysRevLett.34.1361&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.34.1361&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rehr, J. 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Retrieved 14 October 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=XAS+Data+Interchange+Format+Draft+Specification%2C+version+1.0&rft.atitle=&rft.aulast=Newville%2C+M.%3B+Ravel%2C+B.%3B+Sol%C3%A9%2C+V.+et+al.&rft.au=Newville%2C+M.%3B+Ravel%2C+B.%3B+Sol%C3%A9%2C+V.+et+al.&rft.date=8+May+2015&rft.pub=GitHub&rft_id=https%3A%2F%2Fgithub.com%2FXraySpectroscopy%2FXAS-Data-Interchange%2Fblob%2Fmaster%2Fspecification%2Fspec.md&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ishii, Masashi (2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/mdr.nims.go.jp\/collections\/qz20st57x\" target=\"_blank\"><i>MDR XAFS DB<\/i><\/a>. Hiroko Nagao, Kosuke Tanabe, Asahiko Matsuda, Hideki Yoshikawa. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.48505%2FNIMS.1447\" target=\"_blank\">10.48505\/NIMS.1447<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/mdr.nims.go.jp\/collections\/qz20st57x\" target=\"_blank\">https:\/\/mdr.nims.go.jp\/collections\/qz20st57x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=MDR+XAFS+DB&rft.aulast=Ishii&rft.aufirst=Masashi&rft.au=Ishii%2C%26%2332%3BMasashi&rft.date=2021&rft_id=info:doi\/10.48505%2FNIMS.1447&rft_id=https%3A%2F%2Fmdr.nims.go.jp%2Fcollections%2Fqz20st57x&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Taguchi, T.; Ozawa, T.; Yashiro, H. 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(2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/dice.nims.go.jp\/ontology\/mdr-xafs-ont\/Item\" target=\"_blank\">\"MatVoc vocabulary\"<\/a>. <i>MDR XAFS Ontology<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/dice.nims.go.jp\/ontology\/mdr-xafs-ont\/Item\" target=\"_blank\">https:\/\/dice.nims.go.jp\/ontology\/mdr-xafs-ont\/Item<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=MatVoc+vocabulary&rft.atitle=MDR+XAFS+Ontology&rft.aulast=Ishii%2C+M.&rft.au=Ishii%2C+M.&rft.date=2023&rft_id=https%3A%2F%2Fdice.nims.go.jp%2Fontology%2Fmdr-xafs-ont%2FItem&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Flannery, D; 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Creative Commons<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/creativecommons.org\/licenses\/by-nc-sa\/4.0\/\" target=\"_blank\">https:\/\/creativecommons.org\/licenses\/by-nc-sa\/4.0\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 14 October 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=CC+BY-NC-SA+4.0+DEED&rft.atitle=&rft.pub=Creative+Commons&rft_id=https%3A%2F%2Fcreativecommons.org%2Flicenses%2Fby-nc-sa%2F4.0%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFMaterials_Data_Platform_Center2022\">Materials Data Platform Center, Kosuke Tanabe, Asahiko Matsuda, <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/nims-dpfc\/mdr-schema\" target=\"_blank\">\"MDR Schema\"<\/a>, <i>GitHub<\/i> (National Institute for Materials Science), <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.48505%2Fnims.3239\" target=\"_blank\">10.48505\/nims.3239<\/a><span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/nims-dpfc\/mdr-schema\" target=\"_blank\">https:\/\/github.com\/nims-dpfc\/mdr-schema<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 14 October 2022<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=MDR+Schema&rft.jtitle=GitHub&rft.aulast=Materials+Data+Platform+Center&rft.au=Materials+Data+Platform+Center&rft.pub=National+Institute+for+Materials+Science&rft_id=info:doi\/10.48505%2Fnims.3239&rft_id=https%3A%2F%2Fgithub.com%2Fnims-dpfc%2Fmdr-schema&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-DCCreateDOIs-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-DCCreateDOIs_20-0\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/datacite.org\/create-dois\/\" target=\"_blank\">\"Create DOIs\"<\/a>. DataCite. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/datacite.org\/create-dois\/\" target=\"_blank\">https:\/\/datacite.org\/create-dois\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Create+DOIs&rft.atitle=&rft.date=2023&rft.pub=DataCite&rft_id=https%3A%2F%2Fdatacite.org%2Fcreate-dois%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-21\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-21\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Arthur, J. (1 July 1989). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/rsi\/article\/60\/7\/2062\/347666\/Use-of-simultaneous-reflections-for-precise\" target=\"_blank\">\"Use of simultaneous reflections for precise absolute energy calibration of x rays\"<\/a> (in en). <i>Review of Scientific Instruments<\/i> <b>60<\/b> (7): 2062\u20132063. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F1.1140826\" target=\"_blank\">10.1063\/1.1140826<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0034-6748\" target=\"_blank\">0034-6748<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/rsi\/article\/60\/7\/2062\/347666\/Use-of-simultaneous-reflections-for-precise\" target=\"_blank\">https:\/\/pubs.aip.org\/rsi\/article\/60\/7\/2062\/347666\/Use-of-simultaneous-reflections-for-precise<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Use+of+simultaneous+reflections+for+precise+absolute+energy+calibration+of+x+rays&rft.jtitle=Review+of+Scientific+Instruments&rft.aulast=Arthur&rft.aufirst=J.&rft.au=Arthur%2C%26%2332%3BJ.&rft.date=1+July+1989&rft.volume=60&rft.issue=7&rft.pages=2062%E2%80%932063&rft_id=info:doi\/10.1063%2F1.1140826&rft.issn=0034-6748&rft_id=https%3A%2F%2Fpubs.aip.org%2Frsi%2Farticle%2F60%2F7%2F2062%2F347666%2FUse-of-simultaneous-reflections-for-precise&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kraft, S.; St\u00fcmpel, J.; Becker, P.; Kuetgens, U. (1 March 1996). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/rsi\/article\/67\/3\/681\/759470\/High-resolution-x-ray-absorption-spectroscopy-with\" target=\"_blank\">\"High resolution x-ray absorption spectroscopy with absolute energy calibration for the determination of absorption edge energies\"<\/a> (in en). <i>Review of Scientific Instruments<\/i> <b>67<\/b> (3): 681\u2013687. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F1.1146657\" target=\"_blank\">10.1063\/1.1146657<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0034-6748\" target=\"_blank\">0034-6748<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/rsi\/article\/67\/3\/681\/759470\/High-resolution-x-ray-absorption-spectroscopy-with\" target=\"_blank\">https:\/\/pubs.aip.org\/rsi\/article\/67\/3\/681\/759470\/High-resolution-x-ray-absorption-spectroscopy-with<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=High+resolution+x-ray+absorption+spectroscopy+with+absolute+energy+calibration+for+the+determination+of+absorption+edge+energies&rft.jtitle=Review+of+Scientific+Instruments&rft.aulast=Kraft&rft.aufirst=S.&rft.au=Kraft%2C%26%2332%3BS.&rft.au=St%C3%BCmpel%2C%26%2332%3BJ.&rft.au=Becker%2C%26%2332%3BP.&rft.au=Kuetgens%2C%26%2332%3BU.&rft.date=1+March+1996&rft.volume=67&rft.issue=3&rft.pages=681%E2%80%93687&rft_id=info:doi\/10.1063%2F1.1146657&rft.issn=0034-6748&rft_id=https%3A%2F%2Fpubs.aip.org%2Frsi%2Farticle%2F67%2F3%2F681%2F759470%2FHigh-resolution-x-ray-absorption-spectroscopy-with&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bearden, J. A. (1 January 1967). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/RevModPhys.39.78\" target=\"_blank\">\"X-Ray Wavelengths\"<\/a> (in en). <i>Reviews of Modern Physics<\/i> <b>39<\/b> (1): 78\u2013124. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FRevModPhys.39.78\" target=\"_blank\">10.1103\/RevModPhys.39.78<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0034-6861\" target=\"_blank\">0034-6861<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/RevModPhys.39.78\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/RevModPhys.39.78<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=X-Ray+Wavelengths&rft.jtitle=Reviews+of+Modern+Physics&rft.aulast=Bearden&rft.aufirst=J.+A.&rft.au=Bearden%2C%26%2332%3BJ.+A.&rft.date=1+January+1967&rft.volume=39&rft.issue=1&rft.pages=78%E2%80%93124&rft_id=info:doi\/10.1103%2FRevModPhys.39.78&rft.issn=0034-6861&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FRevModPhys.39.78&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">RDF Working Group (25 February 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.w3.org\/RDF\/\" target=\"_blank\">\"RDF\"<\/a>. <i>w3.org<\/i>. W3C<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.w3.org\/RDF\/\" target=\"_blank\">https:\/\/www.w3.org\/RDF\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 14 October 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=RDF&rft.atitle=w3.org&rft.aulast=RDF+Working+Group&rft.au=RDF+Working+Group&rft.date=25+February+2014&rft.pub=W3C&rft_id=https%3A%2F%2Fwww.w3.org%2FRDF%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">aisaac (13 December 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.w3.org\/2004\/02\/skos\/\" target=\"_blank\">\"SKOS Simple Knowledge Organization System - Home Page\"<\/a>. <i>w3.org<\/i>. W3C<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.w3.org\/2004\/02\/skos\/\" target=\"_blank\">https:\/\/www.w3.org\/2004\/02\/skos\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 14 October 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=SKOS+Simple+Knowledge+Organization+System+-+Home+Page&rft.atitle=w3.org&rft.aulast=aisaac&rft.au=aisaac&rft.date=13+December+2012&rft.pub=W3C&rft_id=https%3A%2F%2Fwww.w3.org%2F2004%2F02%2Fskos%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-W3SKOScm-26\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-W3SKOScm_26-0\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Miles, A.; Bechhofer, S. (18 August 2009). <a rel=\"nofollow\" class=\"external text\" href=\"#closeMatch\">\"SKOS:closeMatch\"<\/a>. <i>SKOS Simple Knowledge Organization System Namespace Document - HTML Variant<\/i>. W3C<span class=\"printonly\">. <a rel=\"nofollow\" class=\"external free\" href=\"#closeMatch\">https:\/\/www.w3.org\/2009\/08\/skos-reference\/skos.html#closeMatch<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=SKOS%3AcloseMatch&rft.atitle=SKOS+Simple+Knowledge+Organization+System+Namespace+Document+-+HTML+Variant&rft.aulast=Miles%2C+A.%3B+Bechhofer%2C+S.&rft.au=Miles%2C+A.%3B+Bechhofer%2C+S.&rft.date=18+August+2009&rft.pub=W3C&rft_id=https%3A%2F%2Fwww.w3.org%2F2009%2F08%2Fskos-reference%2Fskos.html%23closeMatch&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-MDROnt-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-MDROnt_27-0\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"nofollow\" class=\"external text\" href=\"#mdr\">\"mdr: <http:\/\/dice.nims.go.jp\/ontology\/mdr-ont#>\"<\/a>. <i>DICE Common Namespace<\/i>. National Institute for Materials Sciencedate=2023<span class=\"printonly\">. <a rel=\"nofollow\" class=\"external free\" href=\"#mdr\">https:\/\/dice.nims.go.jp\/en\/ontology\/about.html#mdr<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=mdr%3A+%3Chttp%3A%2F%2Fdice.nims.go.jp%2Fontology%2Fmdr-ont%23%3E&rft.atitle=DICE+Common+Namespace&rft.pub=National+Institute+for+Materials+Sciencedate%3D2023&rft_id=https%3A%2F%2Fdice.nims.go.jp%2Fen%2Fontology%2Fabout.html%23mdr&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-28\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-28\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Harris, S.; Seaborne, A.; Prud'hommeaux, E. (21 March 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.w3.org\/TR\/sparql11-query\/\" target=\"_blank\">\"SPARQL 1.1 Query Language\"<\/a>. <i>w3.org<\/i>. W3C<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.w3.org\/TR\/sparql11-query\/\" target=\"_blank\">https:\/\/www.w3.org\/TR\/sparql11-query\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 14 October 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=SPARQL+1.1+Query+Language&rft.atitle=w3.org&rft.aulast=Harris%2C+S.%3B+Seaborne%2C+A.%3B+Prud%27hommeaux%2C+E.&rft.au=Harris%2C+S.%3B+Seaborne%2C+A.%3B+Prud%27hommeaux%2C+E.&rft.date=21+March+2013&rft.pub=W3C&rft_id=https%3A%2F%2Fwww.w3.org%2FTR%2Fsparql11-query%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. Several inline URLs from the original were turned into full citations for this version.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104153059\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.673 seconds\nReal time usage: 0.973 seconds\nPreprocessor visited node count: 26365\/1000000\nPost\u2010expand include size: 197726\/2097152 bytes\nTemplate argument size: 60975\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 55353\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 448.396 1 -total\n 85.57% 383.696 1 Template:Reflist\n 65.72% 294.674 28 Template:Citation\/core\n 40.83% 183.098 16 Template:Cite_journal\n 18.05% 80.927 10 Template:Cite_web\n 12.27% 55.032 1 Template:Cite_book\n 11.68% 52.364 25 Template:Date\n 8.75% 39.243 1 Template:Infobox_journal_article\n 8.12% 36.431 36 Template:Citation\/identifier\n 7.50% 33.624 1 Template:Infobox\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14423-0!canonical and timestamp 20240104153058 and revision id 53268. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science\">https:\/\/www.limswiki.org\/index.php\/Journal:Integration_of_X-ray_absorption_fine_structure_databases_for_data-driven_materials_science<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","f17f0c7eee3c0de3249672f8d2cbaf53_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/e\/e6\/GA_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/27\/Fig1_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/d\/d7\/Fig2_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/2\/2e\/Fig3_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/af\/Fig4_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/7\/79\/Fig5_Ishii_SciTechAdvMatMeth2023_3-1.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/9\/91\/Fig6_Ishii_SciTechAdvMatMeth2023_3-1.jpg"],"f17f0c7eee3c0de3249672f8d2cbaf53_timestamp":1704389297,"0cf46ecff7f5e6b237b97e90c9676863_type":"article","0cf46ecff7f5e6b237b97e90c9676863_title":"Shared metadata for data-centric materials science (Ghiringhelli et al. 2023)","0cf46ecff7f5e6b237b97e90c9676863_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Shared_metadata_for_data-centric_materials_science","0cf46ecff7f5e6b237b97e90c9676863_plaintext":"\n\nJournal:Shared metadata for data-centric materials scienceFrom LIMSWikiJump to navigationJump to searchFull article title\n \nShared metadata for data-centric materials scienceJournal\n \nScientific DataAuthor(s)\n \nGhiringhelli, Luca M.; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Christian; Chamanara, Javad; Cozzini, Stefano; Curtarolo, Stefano; Draxl, Claudia; Dwaraknath, Shyam; Fekete, \u00c1d\u00e1m; Kermode, James; Koch, Christoph T.; K\u00fchbach, Markus; Ladines, Alvin Noe; Lambrix, Patrick; Himmer, Maja-Olivia; Levchenko, Sergey V.; Oliveira, Micael; Michalchuk, Adam; Miller, Ronald E.; Onat, Berk; Pavone, Pasquale; Pizzi, Giovanni; Regler, Benjamin; Rignanese, Gian-Marco; Schaarschmidt, J\u00f6rg; Scheidgen, Markus; Schneidewind, Astrid; Sheveleva, Tatyana; Su, Chuanxun; Usvyat, Denis; Valsson, Omar; W\u00f6ll, Christof; Scheffler, MatthiasAuthor affiliation(s)\n \nFriedrich-Alexander Universit\u00e4t, Humboldt-Universit\u00e4t zu Berlin, Fritz-Haber-Institut of the Max-Planck-Gesellschaft, University of Amsterdam, TIB \u2013 Leibniz Information Centre for Science and Technology and University Library, AREA Science Park, Duke University, Lawrence Berkeley National Laboratory, University of Warwick, Link\u00f6ping University, Skolkovo Institute of Science and Technology, Max Planck Institute for the Structure and Dynamics of Matter, Federal Institute for Materials Research and Testing, University of Birmingham, Carleton University, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, Paul Scherrer Institut, Chemin des \u00c9toiles, Karlsruhe Institute of Technology, Forschungszentrum J\u00fclich GmbH, University of Science and Technology of China, University of North TexasPrimary contact\n \nEmail: luca dot ghiringhelli at physik dot hu dash berlin dot deYear published\n \n2023Volume and issue\n \n10Article #\n \n626DOI\n \n10.1038\/s41597-023-02501-8ISSN\n \n2052-4463Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.nature.com\/articles\/s41597-023-02501-8Download\n \nhttps:\/\/www.nature.com\/articles\/s41597-023-02501-8.pdf (PDF)\n\n\n\n\n \n This article contains rendered mathematical formulae. You may require the TeX All the Things plugin for Chrome or the Native MathML add-on and fonts for Firefox if they don't render properly for you. \n\n\nContents \n\n1 Abstract \n2 Introduction: Metadata and FAIR data principles \n3 Towards FAIR metadata schemas for computational materials science \n4 Metadata for ground-state electronic-structure calculations \n\n4.1 Approximations to the DFT exchange-correlation functional \n4.2 Basic sets \n4.3 Energy reference \n\n\n5 Metadata for external-perturbation and excited-state electronic-structure calculations \n\n5.1 Diagrammatic techniques and TDDFT \n5.2 Density-functional perturbation theory \n5.3 Quantum-chemistry methods \n\n\n6 Metadata for potential-energy sampling \n7 Metadata for computational workflows \n8 File formats \n9 Metadata schemas for experimental materials science \n10 Outlook on ontologies in materials science \n11 Discussion and outlook \n12 Abbreviations, acronyms, and initialisms \n13 Acknowledgements \n\n13.1 Author contributions \n13.2 Funding \n13.3 Competing interests \n\n\n14 References \n15 Notes \n\n\n\nAbstract \nThe expansive production of data in materials science, as well as their widespread sharing and repurposing, requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR data principles (that ask for data and information to be findable, accessible, interoperable, and reusable) must not be too narrow. At the same time, the wider materials science community ought to agree on the strategies to tackle the challenges that are specific to its data, both from computations and experiments. In this paper, we present the result of the discussions held at the workshop on \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science.\u201d We start from an operative definition of metadata and the features that a FAIR-compliant metadata schema should have. We will mainly focus on computational materials science data and propose a constructive approach for the \"FAIR-ification\" of the (meta)data related to ground-state and excited-states calculations, potential energy sampling, and generalized workflows. Finally, challenges with the FAIR-ification of experimental (meta)data and materials science ontologies are presented, together with an outlook of how to meet them.\nKeywords: materials science, data sharing, FAIR data principles, file formats, metadata, ontologies, workflows\n\nIntroduction: Metadata and FAIR data principles \nThe amount of data that has been produced in materials science up to today, and its day-by-day increase, are massive.[1] The dawn of the data-centric era[2] requires that such data are not just stored, but also carefully annotated in order to find, access, and possibly reuse them. Terms of good practice to be adopted by the scientific community for the management and stewardship of its data, the so-called FAIR data principles, have been compiled by the FORCE11 group.[3] Here, the acronym \"FAIR\" stands for \"findable, accessible, interoperable, and reusable,\" which applies not only to data but also to metadata. Other terms for the \u201cR\u201d in FAIR are \u201crepurposable\u201d and \u201crecyclable.\u201d The former term indicates that data may be used for a different purpose than the original one for which they were created. The latter term hints at the fact that data in materials science are often exploited only once for supporting the thesis of a single publication, and then they are stored and forgotten. In this sense, they would constitute a \u201cwaste\u201d that can be recycled, provided that they can be found and they are properly annotated.\nBefore examining the meaning and importance of the four terms of the FAIR acronym, it is worth defining what metadata are with respect to data. To that purpose, we start by introducing the concept of a data object, which represents the collective storage of information related to an elementary entry in a database. One can consider it as a row in a table, where the columns can be occupied by simple scalars, higher-order mathematical objects, strings of characters, or even full documents (or other media objects). In the materials science context, a data object is the collection of attributes (the columns in the above-mentioned table) that represent a material or, even more fundamentally, a snapshot of the material captured by a single configuration of atoms, or it may be a set of measurements from well-defined equivalent samples (see below for a discussion on this concept). For instance, in computational materials science, the attributes of a data object could be both the inputs (e.g., the coordinates and chemical species of the atoms constituting the material, the description of the physical model used for calculating its properties), and the outputs (e.g., total energy, forces, electronic density of states, etc.) of a calculation. Logically and physically, inputs and outputs are at different levels, in the sense that the former determine the latter. Hence, one can consider the inputs as metadata describing the data, i.e., the outputs. In turn, the set of coordinates A that are metadata to some observed quantities, may be considered as data that depend on another set of coordinates B, and the forces acting on the atoms in that set A. So, the set of coordinates B and the acting forces are metadata to the set A, now regarded as data. Metadata can always be considered to be data as they could be objects of different, independent analyses than those performed on the calculated properties. In this respect, whether an attribute of a data object is data or metadata depends on the context. This simple example also depicts a provenance relationship between the data and their metadata.\nThe above discussion can be summarized in a more general definition of the term metadata: \n\nMetadata are attributes that are necessary to locate, fully characterize, and ultimately reproduce other attributes that are identified as data. \nThe metadata include a clear and unambiguous description of the data as well as their full provenance. This definition is reminiscent of the definition given by the National Institute of Standards and Technology (NIST)[4]: \u201cStructured information that describes, explains, locates, or otherwise makes it easier to retrieve, use, or manage an information resource. Metadata is often called data about information or information about information.\u201d With our definition, we highlight the role of data \u201creproducibility,\u201d which is crucial in science.\nWithin the \u201cfull characterization\u201d requirement, we highlight interpretation of the data as a crucial aspect. In other words, the metadata must provide enough information on a stored value (therein including, e.g., adimensional constants) to make it unambiguous whether two data objects may be compared with respect to the value of a given attribute or not.\nNext, we should notice that, whereas in computational materials science the concept of data object identified by a single atomic configuration is well defined, in experimental materials science the concept of a class of equivalent samples is very hard to implement operationally. For instance, a single specimen can be altered by a measurement operation and thus cannot, strictly speaking, be measured twice. At the same time, two specimens prepared with the same synthesis recipe, may differ in substantial aspects due to the presence of different impurities or even crystal phases, thus yielding different values of a measured quantity. In this respect, here we use the term \"equivalent sample\" in its abstract, ideal meaning, but we also mention that one of the main purposes of introducing well-defined metadata in materials science is to provide enough characterization of experimental samples to put into practice the concept of equivalent samples.\nThe need for storing and characterizing data by means of metadata is determined by two main aspects, related to data usage. The first aspect is as old as science: reproducibility. In an experiment or computation, all the necessary information needed to reproduce the measured\/calculated data (i.e., the metadata) should be recorded, stored, and retrievable. The second aspect becomes prominent with the demand for reusability. Data can and should be also usable for purposes that were not anticipated at the time they were recorded. A useful way of looking at metadata is that they are attributes of data objects answering the questions who, what, when, where, why, and how. For example, \u201cWho has produced the data?\u201d, \u201cWhat are the data expected to represent (in physical terms)?\u201d, \u201cWhen were they produced?\u201d, \u201cWhere are they stored?\u201d, \u201cFor what purpose were they produced?\u201d, and \u201cBy means of which methods were the data obtained?\u201d. The latter two questions also refer to the concept of provenance, i.e., the logical sequence of operations that determine, ideally univocally, the data. Keeping track of the provenance requires the possibility to record the whole workflow that has lead to some calculated or measured properties (for more details, see the later section \u201cMetadata for computational workflows\u201d).\nFrom a practical point of view, the metadata are organized in a schema. We summarize what the FAIR principles imply in terms of a metadata schema as follows:\n\nFindability is achieved by assigning unique and persistent identifiers (PIDs) to data and metadata, describing data with rich metadata, and registering (see below) the (meta)data in searchable resources. Widely known examples of PIDs are digital object identifiers (DOIs) and (permanent) Uniform Resource Identifiers (URIs). According to ISO\/IEC 11179, a metadata registry (MDR) is a database of metadata that supports the functionality of registration. Registration accomplishes three main goals: identification, provenance, and monitoring quality. Furthermore, an MDR manages the semantics of the metadata, i.e., the relationships (connections) among them.\nAccessibility is enabled by application programming interfaces (APIs), which allow one to query and retrieve single entries as well as entire archives.\nInteroperability implies the use of formal, accessible, shared, and broadly applicable languages for knowledge representation (these are known as formal ontologies and will be discussed in the later section \u201cOutlook on ontologies in materials science\u201d), use of vocabularies to annotate data and metadata, and inclusion of references.\nReusability hints at the fact that data in materials science are often exploited only once for a focus-oriented research project, and many data are not even properly stored as they turned out to be irrelevant for the focus. In this sense, many data constitute a \u201cwaste\u201d that can be recycled, provided that the data can be found and they are properly annotated.\nEstablishing one or more metadata schemas that are FAIR-compliant, and that therefore enable the materials science community to efficiently share the heterogeneously and decentrally produced data, needs to be a community effort. The workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop\u201d was organized and held in Berlin in July 2019 to ignite this effort. In the following sections, we describe the identified challenges and first-stage plans, divided into different aspects that are crucial to be addressed in computational materials science.\nIn the next section, we describe the identified challenges and first plans for FAIR metadata schemas for computational materials science, where we also summarize as an example the main ideas behind the metadata schema implemented in the Novel-Materials Discovery (NOMAD) Laboratory for storing and managing millions of data objects produced by means of atomistic calculations (both ab initio and molecular mechanics), employing tens of different codes, which cover the overwhelming majority of what is actually used in terms of volume-of-data production in the community. We then follow with more detailed sections discussing the specific challenges related to interoperability and reusability for ground-state calculations (Section \u201cMetadata for ground-state electronic-structure calculations\u201d), perturbative and excited-state calculations (Section \u201cMetadata for external-perturbation and excited-state electronic-structure calculations\u201d), potential-energy sampling (molecular-dynamics and more, Section \u201cMetadata for potential-energy sampling\u201d), and generalized workflows (Section \u201cMetadata for computational workflows\u201d) are addressed in detail in the following sections. Challenges related to the choice of file formats are discussed in Section \u201cFile Formats.\u201d An outlook on metadata schema(s) for experimental materials science and on the introduction of formal ontologies for materials science databases constitute Sections \u201cMetadata schemas for experimental materials science\u201d and \u201cOutlook on ontologies in materials science,\u201d respectively.\n\nTowards FAIR metadata schemas for computational materials science \nThe materials science community has realized long ago that it is necessary to structure data by means of metadata schemas. In this section, we describe the pioneering and recent examples of such schemas, and how a metadata schema becomes FAIR-compliant.\nTo our knowledge, the first systematic effort to build a metadata schema for exchanging data in chemistry and materials science is CIF, an acronym that originally stood for \"Crystallographic Information File,\" the data exchange standard file format introduced in 1991 by Hall, Allen and Brown.[5][6] Later, the CIF acronym was extended to also mean \"Crystallographic Information Framework\"[7], a broader system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations. These include the Crystallographic Information File itself, but also, for instance, XML (Extensible Markup Language), a general framework for encoding text documents in a format that is meant to be at the same time human and machine readable. CIF was developed by the International Union of Crystallography (IUCr) working party on Crystallographic Information and was adopted in 1990 as a standard file structure for the archiving and distribution of crystallographic information. It is now well established and is in regular use for reporting crystal structure determinations to Acta Crystallographica and other journals. More recently, CIF has been adapted to different areas of science such as structural biology (mmCIF, the macromolecular CIF[8]) and spectroscopy.[9] The CIF framework includes strict syntax definition in a machine-readable form and dictionary defining (meta)data items. It has been noted that the adoption of the CIF framework in IUCr publications has allowed for a significant reduction of the amount of errors in published crystal structures.[10][11]\nAn early example of an exhaustive metadata schema for chemistry and materials science is the Chemical Markup Language (CML)[12][13][14], whose first public version was released in 1995. CML is a dictionary, encoded in XML for chemical metadata. CML is accessible (for reading, writing, and validation) via the Java library JUMBO (Java Universal Molecular\/Markup Browser for Objects).[14] The general idea of CML is to represent with a common language all kinds of documents that contain chemical data, even though currently the language\u2014as of the latest update in 2012[15]\u2014covers mainly the description of molecules (e.g., IUPAC name, atomic coordinates, bond distances) and of inputs\/outputs of computational chemistry codes such as Gaussian03[16] and NWChem.[17] Specifically, in the CML representation of computational chemistry calculations[18], (ideally) all the information on a simulation that is contained in the input and output files is mapped onto a format that is in principle independent of the code itself. Such information is:\n\nAdministrative data like the code version, libraries for the compilation, hardware, user submitting the job;\nMaterials-specific (or materials-snapshot-specific) data like computed structure (e.g., atomic species, coordinates), the physical method (e.g., electronic exchange-correlation treatment, relativistic treatment), numerical settings (basis set, integration grids, etc.);\nComputed quantities (energies, forces, sequence of atomic positions in case a structure relaxation or some dynamical propagation of the system is performed, etc.).\nThe different types of information are hierarchically organized in modules, e.g., environment (for the code version, hardware, run date, etc.), initialization (for the exchange correlation treatment, spin, charge), molgeom (for the atomic coordinates and the localized basis set specification), and finalization (for the energies, forces, etc.). The most recent release of the CML schema contains more than 500 metadata-schema items, i.e., unique entries in the metadata schema. It is worth noticing that CIF is the dictionary of choice for the crystallography domain within CML.\nAnother long-standing activity is JCAMP-DX (Joint Committee on Atomic and Molecular Physical Data - Data Exchange)[19], a standard file format for exchange of infrared spectra and related chemical and physical information that was established in 1988 and then updated with IUPAC recommendations until 2004. It contains standard dictionaries for infrared spectroscopy, chemical structure, nuclear magnetic resonance (NMR) spectroscopy[20], and mass spectrometry[21], and ion-mobility spectrometry.[22] The European Theoretical Spectroscopy Facility (ETSF) File Format Specifications were proposed in 2007[23][24][25], in the context of the European Network of Excellence NANOQUANTA, in order to overcome widely known portability issues of input\/output file formats across platforms. The Electronic Structure Common Data Format (ESCDF) Specifications[26] is the ongoing continuation of the ETSF project and is part of the CECAM Electronic Structure Library, a community-maintained collection of software libraries and data standards for electronic-structure calculations.[27]\nThe largest databases of computational materials science data, AFLOW[28], Materials Cloud[29], Materials Project[30], the NOMAD Repository and Archive[31][32][33], OQMD[34], and TCOD[35] offer APIs that rely on dedicated metadata schemas. Similarly, AiiDA[36][37][38] and ASE[39], which are schedulers and workflow managers for computational materials science calculations, adopt their own metadata schema. OpenKIM[40] is a library of interatomic models (force fields) and simulation codes that test the predictions of these models, complemented with the necessary first-principles and experimental reference data. Within OpenKIM, a metadata schema is defined for the annotation of the models and reference data. Some of the metadata in all these schemas are straightforward to map onto each other (e.g., those related to the structure of the studied system, i.e., atomic coordinates and species, and simulation-cell specification), others can be mapped with some care. The OPTIMADE (Open Databases Integration for Materials Design[41]) consortium has recognized this potential and has recently released the first version of an API that allows users to access a common subset of metadata-schema items, independent of the schema adopted for any specific database\/repository that is part of the consortium.\nIn order to clarify how a metadata schema can explicitly be FAIR-compliant, we describe as an example the main features of the NOMAD Metainfo, onto which the information contained in the input and output files of atomistic codes, both ab initio and force-field based, is mapped. The first released version of the NOMAD Metainfo is described by Ghiringhelli et al.[26] and it has powered the NOMAD Archive since the latter went online in 2014, thus predating the formal introduction of the FAIR data principles.[3]\nHere, we give a simplified description, graphically aided by Fig. 1, which highlights the hierarchical\/modular architecture of the metadata schema. The elementary mode in which an atomistic materials science code is run (encompassed by the black rectangle) yields the computation of some observables (Output) for a given System, specified in terms of atomic species arranged by their coordinates in a box, and for a given physical model (Method), including specification of its numerical implementation. Sequences or collections of such runs are often defined via a Workflow. Examples of workflows are:\n\nPerturbative physical models (e.g., second-order M\u00f8ller\u2013Plesset, MP2, Green\u2019s function based methods such as G0W0, random-phase approximation, RPA) evaluated using self-consistent solutions provided by other models (e.g., density-functional theory, DFT, Hartree-Fock method, HF) applied on the same System;\nSampling of some desired thermodynamic ensemble by means of, e.g., molecular dynamics;\nGlobal- and local-minima structure searches;\nNumerical evaluations of equations of state, phonons, or elastic constants by evaluating energies, forces, and possibly other observables; and\nScans over the compositional space for a given class of materials (high-throughput screening).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. Simplified schema of the NOMAD Metainfo. The rectangles symbolize the section-type metadata, for each section a few examples of therein contained quantity-type or (sub)sections metadata are listed. Sections are always written in bold font. The solid arrows stand for the is contained in relationship, while the dashed arrows are for the has reference in relationship.\n\n\n\nThe workflows can also be nested, e.g., a scan over materials (different compositions and\/or crystal structures) contains a local optimization for each material and extra calculations based on each local optimum structure such as evaluation of phonons, bulk modulus, or elastic constants, etc.\nThe NOMAD Metainfo organizes metadata into sections, which are represented in Fig. 1 by the labeled boxes. The sections are a type of metadata, which group other metadata, e.g., other sections or quantity-type metadata. The latter are metadata related to scalars, tensors, and strings, which represent the physical quantities resulting from calculations or measurements. In a relational database model, the sections would correspond to tables, where the data objects would be the rows, and the quantity-type metadata the columns. In its most simple realization, a metadata schema is a key-value dictionary, where the key is a name identifying a given metadata. In NOMAD Metainfo, similarly to CML, the key is a complex entity grouping the several attributes. Each item in NOMAD Metainfo has attributes, starting with its name, a string that must be globally unique, well defined, intuitive, and as short as possible. Other attributes are the human-understandable description, which clarifies the meaning of the metadata, the parent section, i.e., the section the metadata belongs to, and the type, whether the metadata is, e.g., a section or a quantity. Another possible type, the category type, will be discussed below. For the quantity-type metadata, other important attributes are physical units and shape, i.e., the dimensions (scalar, vector of a certain length, a matrix with a certain number of rows and columns, etc.), and allowed values, for metadata that admit only a discrete and finite set of values.\nAll definitions in the NOMAD Metainfo have the following attributes:\n\nA globally unique qualified name;\nHuman-readable\/interpretable description and expected format (e.g., scalar, string of a given length, array of given size);\nAllowed values;\nProvenance, which is realized in terms of a hierarchical and modular schema, where each data object is linked to all the metadata that concur to its definition. Related to provenance, an important aspect of NOMAD Metainfo is its extensibility. It stems from the recognition that reproducibility is an empirical concept, thus at any time, new, previously unknown or disregarded metadata may be recognized as necessary. The metadata schema must be ready to accommodate such extensions seamlessly.\nThe representation in Fig. 1 is very simplified for tutorial purposes. For instance, a workflow can be arbitrarily complex. In particular, it may contain a hierarchy of sub-workflows. In the currently released version of the NOMAD Metainfo, the elementary-code-run modality is fully supported, i.e., ideally all the information contained in a code run is mapped onto the metadata schema. However, the workflow modality is still under development. An important implication of the hierarchical schema is the mapping of any (complex) workflow onto the schema. That way, all the information obtained by its steps is stored. This is achieved by parsers, which have been written by the NOMAD team for each supported simulation code. One of the outcomes of the parsing is the assignment of a PID to each parsed data object, thus allowing for its localization, e.g., via a URI.\nThe NOMAD Metainfo is inspired by the CML, in particular in being hierarchical\/modular. Each instance of a metadata-schema is uniquely identified, so that it can be associated with a URI for its convenient accessibility. An instance of a metadata schema can be generated by using a dedicated parser by pairing each parsed value with its corresponding metadata label. As an example, in Listing 1, we show a portion of the YAML file (see section \u201cFile Formats\u201d) instantiating Metainfo for a specific entry of the NOMAD Archive. This entry can be searched by typing \u201centry_id\u2009=\u2009zvUhEDeW43JQjEHOdvmy8pRu-GEq\u201d in the search bar at https:\/\/nomad-lab.eu\/prod\/v1\/gui\/search\/entries. In Listing 1, key-value pairs are visible, as well as the nested-section structuring.\n\n\n\n\n\n\n\n\n\nListing 1. A portion of a YAML file instantiating Metainfo for one entry of the NOMAD Archive.\n\n\n\nThe modularity and uniqueness together allow for a straightforward extensibility, including customization, i.e., introduction of metadata-schema items that do not need to be shared among all users, but may be used by a smaller subset of users, without conflicts.\nIn Fig. 1, the solid arrows stand for the relationship is contained in between section-type metadata. A few examples of quantity-type metadata are listed in each box\/section. Such metadata are also in an is-contained-in relationship with the section they are listed in. The dashed arrows symbolize the relationship has reference in. In practice, in the example of an Output section, the quantity-type metadata contained in such a section are evaluated for a given system described in a System section and for a given physical model described in a Method section. So, the section Output contains a reference to the specific System and Method sections holding the necessary input information. At the same time, the Output section is contained in a given Atomistic-code run section. These relationships among metadata already build a basic ontology, induced by the way computational data are produced in practice, by means of workflows and code runs. This aspect will be reexamined in the later Section \u201cOutlook on ontologies in materials science.\u201d\nWe now come to the category-type metadata that allow for complementary, arbitrarily complex ontologies to be built by starting from the same metadata. They define a concept, such as \u201cenergy\u201d or \u201cenergy component,\u201d in order to specify that a given quantity-type metadata has a certain meaning, be it physical (such as \u201cenergy\u201d) or computer-hardware related, or administrative. To the purpose, each section and quantity-type metadata is related to a category-type metadata, by means of an is-a kind of relationship. Each category-type metadata can be related to another category-type metadata by means of the same is-a relationship, thus building another ontology on the metadata, which can be connected with top-down ontologies such as EMMO[42] (see Section \u201cOutlook on ontologies in materials science\u201d for a short description of EMMO).\nThe current version of NOMAD Metainfo includes more than 400 metadata-schema items. More specifically, these are the common metadata, i.e., those that are code-independent. Hundreds more metadata are code-specific, i.e., mapping pieces of information in the codes\u2019 input\/output that are specific to a given code and not transferable to other codes. The NOMAD Metainfo can be browsed at https:\/\/nomad-lab.eu\/prod\/v1\/gui\/analyze\/metainfo.\nTo summarize, the NOMAD Metainfo addresses the FAIR data principles in the following sense:\n\nFindability is enabled by unique names and a human-understandable description;\nAccessibility is enabled by the PID assigned to each metadata-schema item, which can be accessed via a RESTful[43] API (i.e., an API supporting the access via web services, through common protocols, such as HTTP), specifically developed for the NOMAD Metainfo. Essentially all NOMAD data are open-access, and users who wish to search and download data do not need to identify themselves. They only need to accept the CC BY license. Uploaders can decide for an embargo. These data are then shared with a selected group of colleagues.\nInteroperability is enabled by the extensibility of the schema and the category-type metadata, which can be linked to existing and future ontologies (see Section \u201cOutlook on ontologies in materials science\u201d).\nReusability\/Repurposability\/Recyclability is enabled by the modular\/hierarchical structure that allows for accessing calculations at different abstraction scales, from the single observables in a code run to a whole complex workflow (see Section \u201cMetadata for Computational Workflows\u201d).\nThe usefulness and versatility of a metadata schema are demonstrated by the multiple access modalities it allows for. The NOMAD Metainfo schema is the basis of the whole NOMAD Laboratory infrastructure, which supports access to all the data in the NOMAD Archive, via the NOMAD API (also an implementation of the OPTIMADE API[41] is supported). This API powers three different access modes of the Archive: the Browser[44], which allows searches for single or groups of calculations, the Encyclopedia[45], which display the content of the Archive organized by materials, and the Artificial-Intelligence (AI) Toolkit[46][47][48], which connects in Jupyter Notebook's script-based queries and AI (machine learning [ML], data mining) analyses of the filtered data. All the three services are accessible via a web browser running the dedicated GUI offered by NOMAD.\n\nMetadata for ground-state electronic-structure calculations \nBy ground-state calculations, we mean calculations of the electronic structure\u2014e.g., eigenvalues and eigenfunctions of the single-particle Kohn-Sham equations, the electron density, the total energy and possibly its derivatives (forces, force constants)\u2014for a fixed configuration of nuclei. This refers to a point located on the Born-Oppenheimer potential-energy surface, and is a necessary step in geometry optimization, molecular dynamics, the computation of vibrational (phonon) spectra or elastic constants, and more. Thus, ground-state calculations represent the most common task in computational materials science, and the involved approximations are relatively well established. For this reason, they are already extensively covered by the NOMAD Metainfo. Nevertheless, some challenges in defining metadata for such calculations still remain, as discussed below. In particular, density-functional theory (DFT) is the workhorse approach for the great majority of ground-state calculations in materials science. Highly accurate quantum-chemistry models are more computationally expensive than DFT and their use in applications is less widespread. However, they can provide accurate benchmark references for DFT, making high-quality quantum-chemical data essential also for DFT-based studies. Below we analyze the ground-state electronic structure calculations mainly in reference to DFT, but most of the stated principles are also valid for quantum-chemical calculations. A detailed discussion of the latter is deferred to Section \u201cQuantum-chemistry methods.\u201d\n\nApproximations to the DFT exchange-correlation functional \nApproximations to the DFT exchange-correlation (xc) functionals are identified by a name or acronym (e.g., \u201cPBE\u201d), although sometimes this identification is not unique or complete. As metadata, we suggest to use the identifiers of the Libxc library[49][50], which is the largest bibliography of xc functionals. In order to be both human and computer friendly, the Libxc identifiers consist of a human-readable string that has a unique integer associated with it. Often, the above-noted identification needs some refinement, because xc functionals typically depend on a set of parameters and these may be modified for a given calculation. Obviously, there is a need to standardize the way in which such parameters are referenced. Just like it is possible to use the Libxc identifiers for the functionals themselves, one may also use the Libxc naming scheme for their internal parameters. Obviously, code developers have to ensure that this information is contained in the respective input and\/or output files. As Libxc provides version numbers of the xc functionals, it is important that this information is also available.\n\nBasic sets \nComplete and unambiguous specification of the basis set is crucial for judging the precision of a calculation. Ground-state calculations should include the full information about the basis sets used, including a DOI that a basis may be referred to. The use of repositories of basis sets, like the Basis Set Exchange repository[51], is therefore strongly recommended.\nBasis sets can be coarsely divided into two classes, i.e., atom-position-dependent (atom-centered, bond-centered) and cell-dependent (such as plane waves) ones. Also, a combination of both is possible, as, e.g., realized in augmented plane-wave or projector-augmented-wave methods. For the atom-centered basis, the list of centers needs to be provided, and these may even contain positions where no actual atomic nucleus is located. The NOMAD Metainfo contains a rather complete set of metadata to describe atom-centered basis sets. A more complete description of cell-dependent basis sets can be found in the ESCDF, which is planned to be merged with the NOMAD Metainfo.\n\nEnergy reference \nIn order to enable interoperability and reusability of energies computed with different electronic-structure methods, it is necessary to define a \u201cgeneral energy zero.\u201d An analysis of this problem and some clues on how to tackle it were already discussed by some of us in a previous work.[26] The following is a further attempt to advance and systematize ideas and solutions.\nThe problem of comparing energies is not restricted to computational materials science and chemistry. In fact, it also arises in experimental chemistry, as for instance, only enthalpy or entropy differences can be measured, but not absolute values. To solve this, chemists have defined a reference state for each element, called the \"standard state,\" which is defined as the element in its natural form at standard conditions, while the heat of formation is used to measure the change from the elements to the compound. In computational materials science and chemistry, we can adopt a similar approach. For each element we need to define a reference system as the zero of the energy scale. To do so, we introduce some definitions:\n\nA system is a defined set of one or more atoms, with a given geometry and, if periodic, a given unit cell. It can be an atom, a molecule, a periodic crystal, etc. If relevant, the charge, the spin-state or magnetic ordering needs to be specified.\nA reference system is a well-defined system to which other systems are compared to.\nA calculated energy is the energy obtained by a numerical simulation of a system with given input data and parameters, defining the Hamiltonian (i.e., DFT xc-functional approximation) or the many-electron model (e.g., Hartree-Fock, MP2, \u201ccoupled-cluster singles, doubles, and perturbative triples\u201d, CCSD[T]), the basis set, and the numerical parameters.\nWhether the reference system is an atom, an element in its natural form, some molecule or other system, does not matter, as long as it is well-defined. Defining the system by atoms requires specifying how the orbitals are occupied, whether the atom is spherical, spin-polarized, etc. For each computational method and numerical settings, the energy per atom of the reference system must be calculated. The standard energy is then obtained by subtracting these values (multiplied by the number of constituents) from the calculated total energy. For example, to determine the energy of formation of a molecule like H2O or a crystal like SiC, we calculate the difference in total energies as \n \n \n \n E\n \n (\n \n \n H\n \n 2\n \n \n O\n \n )\n \n −\n E\n \n (\n \n H\n \n 2\n \n \n )\n \n −\n \n \n 1\n 2\n \n \n E\n \n (\n \n O\n \n 2\n \n \n )\n \n \n \n {\\displaystyle E\\left(H_{2}O\\right)-E\\left(H_{2}\\right)-{\\frac {1}{2}}E\\left(O_{2}\\right)}\n \n or \n \n \n \n E\n \n (\n \n S\n i\n C\n \n )\n \n −\n E\n \n (\n \n S\n i\n \n )\n \n −\n E\n (\n C\n )\n \n \n {\\displaystyle E\\left({SiC}\\right)-E\\left({Si}\\right)-E(C)}\n \n , respectively. Here, H2 and O2 are isolated, neutral molecules while Si and C are free, neutral atoms. However, using the energy per atom of Si and C in their crystalline ground-state structure would be an option as well. We propose to tabulate the reference energies for the most common computational methods, so that they can be applied without further computations and preferably automatically by the codes themselves.\nFinally, we need to define what is meant by a computational method. The Hamiltonian and DFT functional are clearly part of the definition, as is the basis set and the potential shape (including pseudopotentials (PP) and effective core potentials). The specific implementation may also be relevant. Gaussian-based molecular-orbital codes may give the same energy for an identical setup (see Section \u201cQuantum-chemistry methods\u201d), while plane-wave DFT codes may not.\nOne factor here is the choice of the PP. Irrespective of the used method, the computational settings determine the quality of a calculation. Most decisive here is the basis-set cut-off. For the plane-wave basis, convergence with respect to this parameter is straightforward. In any case, depending on the code, the method and details of the calculation, care needs to be taken to define all the adjustable parameters that significantly affect the energy when defining computational methods.\nTo tabulate standard energies, as suggested above, every computational method needs to be applied to all reference systems. This requires care in choosing the reference systems to ensure that an as-wide-as-possible range of codes and methods are actually suited for these calculations. It may be that some codes cannot constrain the occupancies of atoms, or keep them spherical, which would be a problem if spherical atoms were chosen as the reference. Clearly, periodic crystals such as silicon are not suitable for molecular codes. It is possible, however, that some other codes could help with bridging this gap. For example, FHI-aims[52] is not only capable of simulating crystalline system, but can also handle atoms and molecules and it can employ Gaussian-type orbitals (GTO) basis sets. Thus, FHI-aims is able to reproduce energy differences between atoms\/molecules and crystals. In this way, it can support codes such as Gaussian16 or GAMESS.[53]\n\nMetadata for external-perturbation and excited-state electronic-structure calculations \nA direct link from the DFT ground state (GS) to excitations is provided by time-dependent DFT (TDDFT). Alternatively, charged and neutral electronic excitations are described by means of Green-function approaches from many-body perturbation theory (MBPT). This route is predominantly (but not exclusively) used for the solid state, while TDDFT and quantum-chemistry approaches are typically preferred for finite systems. For strongly correlated materials, in turn, dynamical mean-field theory (DMFT) is often the methodology of choice, potentially combined with DFT and Green-function methods. Lattice excitations, if not directly treated by DFT molecular dynamics, are often handled by density-functional perturbation theory (DFTP); for their interaction with light, also Green-function techniques are used. DFPT not only allows for the description of vibrational properties, but also for treating macroscopic electric fields, applied macroscopic strains, or combinations of these. The type of perturbation is intimately related to the physical properties of interest, e.g., harmonic and anharmonic phonons, effective charges, Raman tensors, dielectric constants, hyper-polarizabilities, and many others.\nCharacterizing the corresponding research data is a very complex and complicated task, for various reasons. First, such calculations rely on an underlying ground-state calculation, and thus carry along all uncertainties from it. Second, the methodology for excited states is scientifically and technically more involved by including many-body effects that govern diverse interactions. The methods thus rely on various, often not fully characterized approximations.\n\nDiagrammatic techniques and TDDFT \nThe most common application of the GW approximation (the one-body Green's function G and the dynamically screened Coulomb interaction W[54]) is to compute quasi-particle energies, i.e., energies that describe the removal or addition of a single electron. For this, the many-body electron-electron interaction is described by a two-particle operator, called the electronic self-energy. To compute this object, on the technical side we may need an additional (auxiliary) basis set, not the same as the one used in the ground-state calculation, coming with additional parameters. Likewise, there are various ways for doing the analytical continuation of the Green\u2019s function, as there are various ways for carrying out the required frequency integration, possibly employing a plasmon-pole model as an approximation. And there are also different ways of how to evaluate the screened Coulomb potential W. Most important is the flavor of GW, i.e., whether it is done in a single-shot manner, called G0W0, or in a self-consistent way. If the latter, what kind of self-consistency (scf) is used; any type of partial scf, quasi-particle scf, or any other type which would remedy any starting-point dependence, i.e., the dependence of the results on the xc functional of the initial DFT (or Hartree-Fock or alike) used in the GS.\nWhile GW approximation is the method of choice for quasi-particle energies (and potentially also life times) within the realm of MBPT, we need to solve the Bethe-Salpeter equation (BSE) to tackle electron-hole interactions. This approach should typically be applied on top of a GW calculation, but often the quasi-particle states are approximated by DFT results adjusted by a scissors operator to widen the band gap in a similar way to the latter. In all cases, BSE carries along all subtleties from the underlying steps. In addition, it comes with its own issues, like the way of screening the Coulomb interaction (electron-hole this time), the representation of non-local operators, and alike.\nDMFT, as a rather young and quickly developing field, naturally experiences a plenitude of \u201cexperimental\u201d implementations, differing in many aspects, with one of the major obstacles being the quite vast amount of combinations of software. Some of the approaches are computationally light, allowing for the construction of model Hamiltonians based on DFT calculations; others are computationally too demanding and can be applied only to simple systems with a few orbitals; most of the methods rely on Green\u2019s functions and self-energies. Diagrammatic extensions beyond standard DMFT methods employ various kinds of vertex functions. Other issues concern the definition of how to handle the Coulomb interactions, where the parameters can either be chosen empirically or can be calculated by first principles.\nSpecific issues of TDDFT concern, in a first place, the distinction between the linear-response regime and the time-propagation of the electronic states in presence of a time-dependent potential. For the former, the xc kernel plays the same role as the xc functional of the GS, raising (besides numerical precision) questions related to accuracy. For the latter, there are various ways and flavors for how to implement the time-evolution operator. Moreover, one can write this operator as a simple exponential or use more elaborate expressions, like the Magnus expansion or the enforced time reversal symmetry. Regarding the exponential, one can employ a Crank-Nicolson expansion, expand in a Taylor series or employ Houston states. Obviously, each of them comes with approximations and additionally, numerical issues.\nIn summary, all the variety captured by the different methods together with the related multitude of computational parameters, needs to be carefully reflected by the metadata schema. This is not only imperative for ensuring reproducible results but also for evaluating the accuracy of methods and commonly used approximations. Besides, further subtleties related to algorithms in the actual implementations in different codes requires the code developers to embark on this challenge.\n\nDensity-functional perturbation theory \nDensity-functional perturbation theory is used to obtain physical properties that are related to the (density-)response of the system to external perturbations, like the displacement potential according to lattice vibrations. Also in this case, the calculation relies on a preliminary GS run, inheriting all issues therefrom. After having chosen the type of perturbation, which requires method-dependent definitions and inputs, one needs to choose the order of perturbation: The linear response approach, that is implemented in many codes (e.g., VASP[55], octopus[56], CASTEP[57], FHI-aims[58], Quantum Espresso[59], ABINIT[60]), allows for the determination of second-order derivatives of the total energy. Among these codes, some of them also allow for the calculation of third-order derivatives, like anharmonic vibrational effects. The variation of the Kohn-Sham orbitals can be obtained from the Sternheimer equation, where different methods are used for deriving its solution (iterative methods, direct linearization, integral formulation).\n\nQuantum-chemistry methods \nQuantum chemistry offers several methodological hierarchies for calculating quantities related to excited states, such as excitation energies, transition moments, ionization potentials, etc. As high-quality methods are computationally intensive, without additional approximations such methods can be applied to relatively small molecular systems only.\nAmong the standard quantum chemical approaches that can be routinely applied to study excited states of small to medium-sized molecules one can distinguish two large groups, i.e., single-reference and multi-reference methods. The single-reference coupled-cluster (CC) hierarchy for excited states can be formulated in terms of the so-called equation-of-motion approach or time-dependent linear response.\nGenerally, for well-behaving closed-shell molecules, the single-reference quantum-chemical methods can be used as a black box. The formalisms of the MP n and CC models are uniquely defined and well documented. The GTO basis sets from the standard basis set families (Pople, Dunning, etc.) are also uniquely defined by the acronym. In practical implementations of these methods, of course various thresholds are usually introduced for prescreening, convergence, etc., but the default values for these thresholds are routinely set very conservatively to guarantee a sub-microhartree precision of the final total energies. Problems might, however, arise due to the iterative character of most of the mentioned techniques, as convergence to a certain state (both in the ground-state and\/or excited-state parts of the calculation) depends on starting guess, preconditioner, possible level shifts, type of convergence accelerator, etc. Unfortunately, the parameters that control the convergence are often not sufficiently well-documented and might not be found in the output. Such problems mainly occur in open-shell cases (note that in the Delta methods at least one of the calculations has to involve an open-shell system). Sometimes a cross-check between several codes becomes essential to detect convergence faults.\nWhen it comes to larger systems and approximate CC models are utilized, the importance of the involved tolerances and underlying protocols substantially increases. The approximations can include, for example, the density-fitting technique, local approximation, Laplace transform, and others. Important parameters here are the auxiliary basis set, the fitting metric, the type of fitting (local or non-local), and if local, how the fit domains are determined, etc. The result of the calculations that use local correlation techniques are influenced by the choice of the virtual space and the corresponding truncation protocols and tolerances, the pair hierarchies and the corresponding approximations for the CC terms, etc. For Laplace-transform-based methods, the details of the numerical quadrature matter. Unfortunately, these subtleties are very specific and technical and even if given in the output, can hardly be properly understood and analyzed by non-specialists who are not involved in the development of the related methods. Therefore, the protocols behind the approximations are usually appropriately automatized, and the defaults are chosen such that for certain (benchmarking) sets of systems the deviations in the energy are substantially smaller than the expected error of the method itself (e.g., 0.01\u2009eV for the excitation energy). However, for these methods, additional benchmarks and cross-checks between different programs and approaches would be very important.\nMulti-reference methods come with quite a number of different flavors, where the most widely used ones are complete active-space self-consistent Field (CASSCF), complete active-space second-order perturbation theory (CASPT2), and multi-reference configuration interaction (MRCI). For difficult cases (e.g., strongly correlated systems), these methods might remain the only option to obtain qualitatively and quantitatively correct result. Unfortunately, compared to the single reference methods, they are computationally expensive and much less of a black box. First of all, for each calculation one has to specify the active space or active spaces. The results may depend dramatically on this choice. Furthermore, the underlying theory is not always uniquely defined by the used acronym. For example, different formulations of CASPT2, MRCI, or other theories are not mutually equivalent depending on whether and how much internal contraction is used and additional approximations that neglect certain terms (e.g., many-electron density matrices) can be implicitly invoked. Besides, certain deficiencies of these methods, such as for example lack of size consistency in MRCI or intruder states in CASPT2, are often corrected by additional (sometimes empirical) schemes, which again are not always fully specified. All this makes the interpretation of deviations in results and cross-checks of these methods less conclusive.\nTo summarize, quantum-chemical methods offer an excellent toolbox for accurate ab initio calculations for molecules (especially so for small and medium sized ones). However, severe issues concerning reproducibility and replicability remain, in particular for extended and\/or open-shell systems. This calls for a more detailed specification of the implemented techniques by the developers, for example, a better design of the outputs, and a thorough analysis and documentation of the employed methods and parameters by the users. A possible strategy addressing these issues would be two-fold:\n\nPromoting the compliance of the developed software with the FAIR principles for software[61][62], which comprise the recommendation to publish the software in a repository with version control, have a well-defined license, register the code in a community registry, assign to each version a PID, and enable its proper citation.[63][64] Reproducibility can be enhanced by publishing software code under the Free Libre Open-Source Software (FLOSS)[65][66] license and by documenting the computation environment (hardware, operating system version, computational framework and libraries that were used, if any); and\nCreation of well-defined benchmark datasets.\nInteroperability among different implementations of (in the intention) the same theoretical model can be assessed by the quantitative comparison over different codes (including different versions thereof) of a set of properties on an agreed-upon set of materials. Such datasets would obviously need to be stored in a FAIR-compliant fashion. A large community-based effort in this direction is being carried on in the DFT community[67], while in the many-body-theory community, implementation of this idea is just at its beginning.[68]\n\nMetadata for potential-energy sampling \nMolecular dynamics (MD) simulations model the time evolution of a system. They employ either ab initio calculated forces and energies (aiMD) or molecular mechanics (MM) i.e., forces and energies are defined through empirical atomistic and coarse-grained potentials. The FAIR storing and sharing of their inputs and outputs comes with a number of specific challenges in comparison to single-point electronic-structure calculations.\nConceptually, aiMD and MM are similar, as a sequence of system configurations is evolved at discrete time steps. Positions, velocities, and forces at a given time step are used to evaluate positions and velocities, and hence forces in the new configuration, and so on. In practice, MM simulations are orders of magnitude faster than aiMD, enabling much longer time scales and\/or much larger system sizes. Even though the trend towards massive parallelization will enable aiMD in the near future system to handle sizes comparable to today\u2019s standards for MM simulations, the latter will probably always enable larger systems. However, with machine-learned potentials and active learning techniques for their training, aiMD and MM may grow together in the future.\nIn this Section, we focus on challenges more specific to MM simulations, having in mind large length scales, long time scales, and complex phase-space-exploration algorithms and workflows. They can be summarized as follows:\n\n(i). In many cases, the investigated systems feature thousands of atoms with complex short- and long-range order and disorder, e.g., describing microstructural evolution such as crack propagation. This requires large, complex simulation cells with a range of chemical species to be correctly described and categorized.\n(ii). Force-fields exist in a wide variety of flavors that require proper classification. On top of that, they allow for granular fine-tuning of the interactions, even for individual atoms. Faithfully representing complex force fields thus requires to also capture the chemical-bonding topology that is often needed to define the actual interactions.\n(iii). The large length and long time scales presently come together with a multitude of simulation protocols, which use specific boundary conditions, thermostats, constraints, integrators, etc. The various approaches enable the computations of additional observables to be computed as statistical averages or correlations. Representing these properties implies the need to efficiently store and access large volumes of data, e.g., trajectories, including positions, and possibly also velocities and forces, for each atom at each time step.\nFor the purpose of illustration, we start by identifying some typical use cases, then describe what is currently implemented in the NOMAD infrastructure and what is missing. The examples we adopt fall into two classes: (i) high-throughput systems that are individually simple (1,000\u201310,000 particles) where the value of sharing comes from the ability to run analysis across many variants of, e.g., chemical composition or force field; (ii) sporadic simulations of very large systems or very long time scales which cannot readily be repeated by other researchers and thus are individually valuable to share. Examples of the first class, could be MD simulations in the NVT ensemble for liquid butane or bulk silicon, using well-defined standard force fields (e.g., CHARMM or Stillinger-Weber). Quantities of interest are typically computed during MD simulations (e.g., liquid densities). For flexibility, full trajectory files should also be stored but some important observables might be worth precomputing (e.g., radial distribution functions). The second class could include multi-billion atom MD simulations of dislocation formation[69] or solidification[70][71] or very long time-scale simulations of protein folding[72] For more complex use cases, the current infrastructure as discussed in Section \u201cTowards FAIR metadata schemas for computational materials science\u201d is not yet sufficient. The challenges to be addressed are the need for support for (i) complex, heterogeneous, possibly multi-resolution systems; (ii) custom force fields; (iii) advanced sampling; (iv) classes of sampling besides MD (e.g., Monte Carlo, global structure prediction\/search); and (iv) larger simulations (i.e., need for sparsification of the stored data with minimal loss of information).\nComplex systems include heterogeneous systems, e.g., adsorbate and surfaces, interfaces, solute (macro)molecules in solvent fluids, and multi-resolution systems, i.e., systems that are described at different granularity. The representation of complex systems requires a hierarchy of structural components, from atoms, through moieties, molecules, and larger (super)structures. Annotating such complexity will require human intervention as well as algorithms for automatically recognizing the structural elements (see, e.g., Leitherer et al.[73]).\nAnnotation of force fields into publicly accessible databases has been pioneered by OpenKIM[40] in materials science and MoSDeF[74] for soft matter. However, many simulations are performed with customized force fields. The field is already being augmented and will likely be further supported by ML force fields. So far, the great majority of ML force fields are used only in the publication where they are defined. The reusability-oriented annotation of force fields, including ML ones, require also establishing a criterion for comparing them. Comparisons can be carried out by means of standardized benchmark datasets, with a well-defined set of properties. Differences among predicted properties can establish a metric for the similarity of the force fields.\nAdvanced sampling techniques (e.g., metadynamics[75], umbrella sampling[76], replica exchange[77], transition-path sampling[78], and forward-flux[79] sampling) are typically supported by libraries such as PLUMED[80] and OpenPathSampling.[81] These libraries are used as plugins to codes where classical-force-field-based (e.g. GROMACS[82], DL_POLY[83], LAMMPS[84]) or ab initio (e.g., CP2K[85] and Quantum Espresso[59]) MD, or both (e.g., i-Pi[86]), are performed. The input and output of these plugins will serve as the basis for the metadata related to these sampling techniques. In this regard, it would also be interesting to connect materials science databases, such as the NOMAD Repository and Archive[31] or Materials Cloud Archive[29] to the PLUMED-NEST[87], the public repository of the PLUMED consortium[88], for example by allowing for automatic uploading of PLUMED input files to the PLUMED-NEST when uploading to the data repositories.\nFor long time- and large length-scale simulations, several questions arise: How should we deal with these simulations, where the extensive amount of data produced by MD simulations becomes overwhelmingly large to systematically store and share? Can we afford to store and share all of it? If the storage is limited or data retrieval is unpractically slow, how can we identify the significant and crucial part of the simulation to store it in a reduced form? Keeping the whole data locally and sharing the metadata with only the important parts of the simulations would be a viable alternative, assuming the different servers have enough redundancy. Standard analysis techniques such as similarity analysis and monitoring dynamics can also be used to identify the changes in structure and dynamics to store only the significant frames or specific regions in MD simulations (e.g., some QM\/MM models uses large MM buffer-atom regions that may not be stored entirely). Furthermore, on the one hand the cost\/benefit of storing versus running a new simulation must be weighed. On the other hand, researchers may soon face increased requirements from funding agencies to store their data for a number of years, in which case the present endeavor offers a convenient implementation. We note ongoing algorithmic developments on compression algorithms for trajectories; see, for example, the work of Brehm and Thomas.[89]\n\nMetadata for computational workflows \nA computational workflow represents the coordinated execution of repeatable (computational) steps while accounting for dependencies and concurrency of tasks. In other words, a workflow can be thought as a script, a wrapper code that manages the scheduling of other codes, by controlling what should run in parallel, what sequentially and\/or iteratively. This definition can be extended to workflows in experimental materials science or hybrid computational-experimental investigations, but, consistently with the previous sections, we limit the discussion to computational aspects only.\nOnce shared, workflows become useful building blocks that can be combined or modified for developing new ones. Furthermore, FAIR data can be reused as part of workflows completely unrelated to the workflows with which they were generated. An obvious example is AI-based data analytics, which can entail complex workflows involving data originally created for different purposes. During the last decade, the interest in workflow development has grown considerably in the scientific community[90], and various multi-purpose engines for managing calculation workflows have been developed, including AFLOW[28][91][92], AiiDA[36][93], ASE[39], and Fireworks.[94] Using these infrastructures, a number of workflows have been used for scientific purposes, like convergence studies[95], equations of state (e.g., AFLOW Automatic Gibbs Library[96] and the AiiDA common workflows ACWF[97]), phonons[98][99][100][101][102], elastic properties (e.g., the elastic-properties library for Inorganic Crystalline Compounds of the Materials Project[103], AFLOW Automatic Elasticity Library, AEL[104], ElaStic[105]), anharmonic properties (e.g., the Anharmonic Phonon Library, APL[106], AFLOW Automatic Anharmonic Phonon Library, AAPL[107]), high-throughput in the compositional space (e.g., AFLOW Partial Occupation, POCC[108]), charge transport (e.g., organic semiconductors[109][110]), of covalent organic frameworks (COFs) for gas storage applications[111], of spin-dynamics simulations[112], high-throughput automated extraction of tight-binding Hamiltionians via Wannier functions[113], and high-throughput on-surface chemistry.[114]\nThere are two types of metadata associated to workflows. Thinking of a workflow as a code to be run, the first type of metadata characterizes the code itself. The second type is the annotation of a run of a workflow, i.e., its inputs and outputs. This type of metadata has been already described in the Section \u201cTowards FAIR metadata schemas for computational materials science,\u201d together with a schematic list of possible workflow classes. It is important to realize that the inputs and outputs of the elementary-mode runs of the atomistic codes that are invoked in a workflow run are complemented by the inputs and outputs of the overarching workflows. A simple example: In an equation-of-state type of workflow, the energy and volume per unit cell of each single configuration that is part of the workflow is the output of the elementary run of the code, while the energy-vs-volume equation of state, e.g., fit to the Birch-Murnagham model, is an output of the workflow.\n\nFile formats \nOn an abstract level, a metadata schema is independent from its representation in computer memory, on a hard drive, or on just a piece of paper. But on a practical level, all data and metadata need to be managed, i.e., stored, indexed, accessed, shared, deleted, archived, etc. File formats used in the community address different requirement and intended use cases. Some file formats privilege human readability (e.g., XML, JSON, YAML) but are not very storage-efficient, while others are binary and overall optimized for efficient searches, but require interpreters to be understood by a person (e.g., HDF5[115]). There are a few use-cases and data properties in the domain of computational materials science that are worth mentioning. First, such data are very heterogeneous and contain many simple properties (e.g., the name of a used code, or a list of considered atoms) that are mixed with properties in the form of large vectors, matrices, or tensors (e.g., the density of states or wave functions). The number of different properties requires hierarchical organization (e.g., with XML, JSON, YAML, or HDF5). It is desirable that many properties are easily human readable (e.g., to quickly verify the sanity of a piece of data), on the other hand large matrices should be stored as efficiently as possible for archiving, retrieving, and searching purposes. Second, there are use cases where random (non-sequential) access of individual properties is desirable (e.g., return all band structures from a set of DFT calculations). Third, computational material science (meta)data need to be archived (efficient storage, prevention of corruption, backups, etc.) on one side, but they also need to be shared via APIs, e.g., for search queries. This requires to transform (meta)data from one representation in one file format (e.g., BagIt and HDF5) to another representation in a different format (e.g., JSON or XML).\nThese use cases and data properties lead to several conclusions. Even on a technical level, (meta)data need to be handled independently of the file format. Pieces of information have to be managed in different formats, and we need to be able to transform from one representation into another. If many different resources (files, databases, etc.) are used to store (meta)data from a logically conjoined dataset, references to these resources qualify to become an important piece of metadata itself. We propose to use an abstract interface (e.g., implemented as a Python library) based on an abstract schema. This interface allows to manage (meta)data independent of the actual representation used underneath. Various implementations of such an abstract interface can then realize storage in various file formats and access to databases.\n\nMetadata schemas for experimental materials science \nIn contrast to computational materials science, in experimental materials science the atomic structure and composition is only approximately known. Several techniques are used to collect data that may be more or less directly interpreted in terms of the atomic and\/or electronic structure of the material. In cases where the structure of the material is already known, careful characterization of properties helps to establish valuable relationships between structure and properties which, in turn, may help to refine theoretical models of these structure-properties links. The inherent uncertainty in every measurement process causes the precision with which data can be reproduced to be lower, in most cases, than in theoretical\/computational materials science. These uncertainties are present even in a well-characterized experimental setup, i.e., when a comprehensive set of metadata is used. In many cases it is not even the focus of an experiment to produce the most perfectly characterized data, but to invest just enough effort to address the specific question that drives the experiment.\nThe information available about the material whose properties are to be measured is also much less complete than in the computational world, where often the position of every atom is known. However, while physical measurements may be limited in their precision, the accuracy with which a physically observable quantity is obtained is by definition of being physically observable much higher than in computational materials science, where the accuracy of the obtained physical quantity may depend strongly on the validity of approximations being applied.\nThe uncertainty in retrieving structure-property relationships in computational materials science, which depends on the suitability of the applied theoretical model and its computational implementation, translates in the realm of experiments to an uncertainty in the atomic structure of the object that is being characterized and generally also some uncertainty in the measurement process itself. The metadata necessary to reproduce a given experimental data set must thus include detailed information about the material and its history together with all the parameters which are required to describe the state of the instrument used for the characterization. In most cases, both classes of metadata, i.e., those describing the material and those describing the instrument are going to be incomplete. While, for example, the full history of temperature, air pressure, humidity, and other relevant environmental parameters are not commonly tracked for the complete lifetime of a material (counter-examples exist, e.g., in pharmaceutical research), also information about the state of the instrument is not generally as comprehensive as it should ideally be (e.g., parameters are not recorded, or are not properly controlled, such as hysteresis effects in devices involving magnetic fields, or many mechanical setups).\nTo overcome part of the uncertainty in the data, one needs to collect as many metadata about the material and its history, as possible, including those that one has no immediate use for at the moment, but might potentially need in the future. Since most of the research equipment being used for characterization tasks is commercial instrumentation, collecting this metadata in an (ideally) fully automated fashion requires the manufacturer\u2019s support. In many cases the formats in which scientific data are provided by these instruments is proprietary. Even if all the data to describe the instrument\u2019s condition of operation are stored, large parts of them may get lost when using the vendor\u2019s software to export the data to other formats; mostly because the \u201cstandard format\u201d does not foresee storing vendor- and instrument-specific metadata. It is however worth mentioning here that the CIF dictionaries (see the Section \u201cTowards FAIR metadata schemas for computational materials science\u201d) already contain (meta)data names to describe instrumentation, sample history, and standard uncertainties in both measured and computed values. As a useful addition, the CIF framework provides tools for implementing quality criteria, which can be used for evaluating the trustworthiness of data objects. In this respect, the community has been developing with CIF a powerful tool onto which a FAIR representation of at least structural data can be built.\nAt large research infrastructures like synchrotrons and neutron-scattering facilities, where a significant fraction of instruments is custom built, and data are often shared with external partners, standards for file formats and metadata structures are being agreed upon, a prominent one being the NeXus standard. NeXus[116] defines hierarchies and rules on how metadata should be described and allows compliant storage using HDF5. Experimental research communities can profit from these activities and provide NeXus-format application definitions which describe necessary metadata that should be stored in a dataset, along with definitions for some optional metadata. This common file format for scientific data is slowly beginning to spread to other communities. Having a standard file format for different types of scientific data seems to be an important step forward towards FAIR data management, since it severely reduces the threshold to share data across communities. Note that NeXus provides a glossary and connected ontology which helps in machine interpretability, and so in reusability.\nWhile standard file formats are of very high value in making data findable and accessible, due to common use of keywords to describe a given parameter, they also make them more interoperable, since the barrier for reading the data is lowered. However, making experimental data truly reproducible requires in many cases more metadata to be collected. Only if the uncertainty with which data can be reproduced is well understood, they may also be fully reusable. As discussed in the previous paragraph, part of these metadata must be provided by manufacturers of commercially available components of the experimental setup. Often this just requires more exhaustive data export functions and\/or proper, i.e. versioned descriptions, for all of the instrument-state-describing metadata which are being collected during the experiment. Additionally, it may be necessary to equip home-built laboratory equipment with additional sensors and functionalities for logging their signals.\nEven with added sensors and automated logging of all accessible metadata, in many cases, it is also necessary to compile and complete the record of metadata describing the current and past states of the sample that is being characterized by manually adding information and\/or combining data from different sources. Tools for doing this in a machine-readable fashion are electronic laboratory notebooks (ELNs) and\/or laboratory information management systems (LIMS). Many such systems are already available[117][118][119][120][121][122][123], including open-source solutions that combine features of both ELN and LIMS into one software. Server-client solutions that do not require a specific client, but may be accessed through any web browser, have the advantage that information may be accessed and edited from any electronic device capable of interacting with the server. Such ease of access, combined with the establishment of rules and practices of holistic metadata recording about sample conditions and experimental workflows will also help to increase the reproducibility, and thus with that the reusability of experimental data. The easier the use of such a system is, and the more apparent it makes the benefits of the availability of FAIR experimental data, the faster it will be adopted by the scientific community.\n\nOutlook on ontologies in materials science \nIn data science, an ontology is a formal representation of the knowledge of a community about a domain of interest, for a purpose. As ontologies are currently less common in basic materials science than in other fields of science, let us explain these terms:\n\nFormal representation means that: (1) the ontology is a representation, hence it is a simplification, or a model, of the target domain, and (2) the attribute formal communicates that the ontological terms and relationships between them must have a deterministic and unambiguous meaning. Furthermore, formal representation implies that the mechanism to specify the ontology must have a degree of logical processing capability, e.g., inference and reasoning should be possible. Crucially, the attribute formal refers to the fact that an ontology should be machine-readable.\nKnowledge is the accumulated set of facts, pieces of information, and skills of the experts of the domain of interest that are represented in the ontology.\nThe community influences the ontology in two aspects; (1) it implies an overall agreement between a group of experts\/users of the knowledge as represented in the ontology and (2) it indicates that the ontology is not meant to convince a whole population nor wants to be universal. However, if it fulfills the requirements of bigger communities, the ontology will be adopted by broader audiences and will find its way towards standardization.\nThe domain of interest is the common ground for the community, e.g., a scientific discipline, a subordinate of discipline, or a market section. It is often used as a boundary to limit the scope of the ontology. It is a proper tool to detect overlapping concepts, modularizing ontologies, and identifying extension and integration points.\nThe purpose conveys the goals of the ontology designers so that the ontology is applicable to a set of situations. In many ontology design efforts, the purpose is formulated by a collection of so-called competency questions. These questions and the answers provided to them identify the intent and viewpoint of the designers and set the potential applications of the ontology.\nIn practice, ontologies are often mapped onto, and visualized by means of, directed acyclic graphs, where an edge is one of a well-defined set of relationships (e.g., is a, has property) and each node is a class, i.e., a concept which is specific to the domain of interest. Each node-edge-node triple is interpreted as a subject-predicate-object expression. For instance, in an ontology for catalysis, one could find the triples: \u201ccatalytic material\u2013has property\u2013selectivity\u201d, and \u201cselectivity\u2013refers to\u2013reaction product.\u201d Ontologies address the interoperability requirement of FAIR data. By means of a machine-readable formal structure, which can be connected to an existing or ex novo derived metadata schema of a database, ontologies allow queries over various databases, even from different fields.\nThe literature already contains several ontologies created for representing (aspects of) materials science. The most ambitious project is probably EMMO[42], which stands for both the European Materials Modelling Ontology, developed within the European Materials Modelling Council (EMMC), and Elemental Multiperspective Material Ontology. EMMO is designed to provide a formal way to describe the fundamental concepts of physics, chemistry, and materials science, to provide an all-purposes common ground for describing materials, models, and data that can be adapted by all sub-domains of condensed-matter physics and chemistry. The development of EMMO includes also a handful of domain ontologies that assume EMMO as top-level ontology.[124] These domain ontologies span subjects such as \u201catomistic and electronic modeling,\u201d \u201ccrystallography,\u201d \u201cmechanical testing,\u201d and more. So far, however, EMMO and its domain ontologies have not been connected to existing databases.\nOther domain-specific ontologies, not related to EMMO, have been developed. For instance, the Materials Ontology[125] was developed for the exchange of data among databases for thermal properties, the MatOnto ontology[126] addresses oxygen ion conducting materials in the fuel cell domain, the NanoParticle Ontology[127] maps properties of nanoparticles with the purpose of designing new nanoparticles with given properties, while the eNanoMapper ontology[128] focuses on assessing risks related to the use of nanomaterials from the engineering point of view.\nAn application-oriented ontology is Materials Design Ontology (MDO)[129], developed under the guidance of the schemas from OPTIMADE[41], and therefore aimed at dealing with data from the various materials-data repositories (e.g., AFLOW, Materials Project, etc.) on a common ground. In practice, MDO connects calculated structures with the calculated properties and the physical model adopted to calculate structures and properties. Furthermore, the provenance for each calculation, is also represented in MDO. It has recently been extended using text mining on thousands of journal articles.[130]\nThe hierarchical structure of NOMAD Metainfo already includes ontological aspects. More specifically, it represents atomistic calculations, as performed by all the parsed simulation codes. NOMAD Metainfo contains already five types of relations between the metadata: (a) is subclass of, (b) is part of, (c) has reference, (d) has dimension, and (e) has category. The latter relation, has category, is introduced to describe conceptually physical quantities (e.g., \u201cenergy,\u201d \u201cvelocity,\u201d etc.). Recently[131], this basic NOMAD Metainfo ontology has been expanded to include a representation of operations among arrays (in an ontology, any mathematical concept needs to be represented in order to properly operate with the physical quantities in complex queries). This extension allowed for the introduction of the notion of \u201csimilarity\u201d relationship that has been applied as a proof of concept to the calculated electronic density of states, as stored in the NOMAD Archive, in order to identify materials with similar electronic structures.[132][133]\nAchievements and challenges of ontologies for materials science were discussed at the first \"Workshop on Ontologies for Materials-Databases Interoperability\" (OMDI2021), held in Link\u00f6ping and virtually on October 2021. The workshop was organized by the OPTIMADE consortium[41] and funded by Psi-k.[134] The main outcomes of the workshop were: a) the strengthening of the idea that the development of useful ontologies need a community effort; b) they need to build from the data, i.e., their development needs to be driven by existing data and the aim of connecting data from different sources; and c) tools for text mining need to be developed[130][135], in order to map into ontologies the enormous wealth buried in decades of scientific literature. Another important outcome of the workshop was the utterance of an insightful warning: \"is the field proposing solutions (i.e, the existing ontologies) still in search of a problem?\" In other words, the community realizes that it needs specific questions to be addressed (the competence questions) in order to shape the ontologies and then propose demonstrative applications of such ontologies to answer the agreed upon questions.\n\nDiscussion and outlook \nDefining\u2014as completely as possible\u2014a pool of metadata for all the methods and computed quantities described above, is crucial for processing, storing, and providing FAIR materials science data. A key challenge is the mapping into a metadata schema of the full set of input parameters, including those hidden into the specific codes, and all the available output. This practice will facilitate reproducibility, benchmarking, and peer-review processes.\nIn particular, we emphasize the importance of developing a hierarchical and modular metadata schema in order to represent the complexity of materials science data and allow for access, reproduction, and repurposing of data, from single-structure calculations to complex workflows. Furthermore, the modularity of the schema enables its extensibility, which is vital for the long-term maintenance of the metadata infrastructure.\nAs an example, we presented the current status of the NOMAD metadata schema, which was designed to comply with the FAIR principles. By means of existing parsers that map a growing set of atomistic-simulation code packages into the hierarchical, modular NOMAD metadata schema, the NOMAD infrastructure already provides the community with a FAIR storage of materials science data. The challenges of fully covering the ground-state electronic calculations, and extending the schema to excited states, dynamical simulations, and complex workflows were examined in detail. By means of a community effort, all aspects of the different subfields, and all the practical details of each specific implementation can be mapped on the NOMAD metadata schema. Finally, we discussed the challenges of the \"FAIR-ification\" of experimental materials science metadata and the creation of ontologies for materials science. Ontologies will unlock the interoperability of the FAIR data by enabling the access and reuse of data across materials science areas, but also outside materials science.\nAs a perspective, probably the biggest benefit of meeting the interoperability challenge will be to allow for routine comparisons between computational evaluations and experimental observations. In fact, it is not trivial to associate a given computed quantity, derived through a given theoretical modelling, to an experimentally measured quantity. This association requires the judgment of a domain expert and a full characterization of both compared quantities. This is where a formalized ontology, applied to FAIR data in materials science, could automatize the process.\n\n Abbreviations, acronyms, and initialisms \nAI: artificial intelligence\naiMD: ab initio calculated forces and energies\nAPI: application programming interface\nBSE: Bethe-Salpeter equation\nCASPT2: complete active-space second-order perturbation theory\nCASSCF: complete active-space self-consistent Field\nCC: coupled-cluster\nCML: Chemical Markup Language\nCIF: Crystallographic Information File; Crystallographic Information Framework\nDFT: density-functional theory\nDFTP: density-functional perturbation theory\nDMFT: dynamical mean-field theory\nDOI: digital object identifier\nELN: electronic laboratory notebook\nEMMC: European Materials Modelling Council\nEMMO: Elemental Multiperspective Material Ontology\nESCDF: Electronic Structure Common Data Format\nETSF: European Theoretical Spectroscopy Facility\nFAIR: findable, accessible, interoperable, reusable\nFLOSS: Free Libre Open-Source Software\nGS: general state\nGW: Green's function G and dynamically screened Coulomb interaction W\nIUCr: International Union of Crystallography\nJCAMP-DX: Joint Committee on Atomic and Molecular Physical Data - Data Exchange\nJUMBO: Java Universal Molecular\/Markup Browser for Objects\nLIMS: laboratory information management system\nMBPT: many-body perturbation theory\nMD: molecular dynamics\nMDR metadata registry\nML: machine learning\nMM: molecular mechanics\nMRCI: multireference configuration interaction\nNOMAD: Novel-Materials Discovery Laboratory\nOPTIMADE: Open Databases Integration for Materials Design\nPID: persistent identifier\nTDDFT: time-dependent DFT\nXML: Extensible Markup Language\nAcknowledgements \nWe would like to thank all the participants to the workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop,\u201d as listed at META2019, who have contributed with questions and comments to ideas discussed in this paper. The organizers of and participants to the OMDI2021 workshop (see https:\/\/liu.se\/en\/research\/omdi2021 for the full list of names) are acknowledged for insightful discussions that inspired some of the concepts discussed in the Section \u201cOutlook on ontologies in materials science.\u201d This work received funding by the European Union\u2019s Horizon 2020 research and innovation program under the grant agreement N\u00b0 951786 (NOMAD CoE) and by the German Research Foundation (DFG) through the NFDI consortium FAIRmat, project 460197019. We acknowledge support by the Open Access Publication Fund of Humboldt-Universit\u00e4t zu Berlin. SVL\u2019s contribution was supported by RSCF grant 21-13-00419.\n\nAuthor contributions \nThe present paper is inspired by and based on the minutes of the workgroups discussions at the workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop.\u201d Here, we report the composition of the original work groups, which reflect into the main contributions to the paper\u2019s sections. Metadata, metadata schemas and ontologies (Introduction, Section \u201cTowards FAIR metadata schemas for computational materials science\u201d and section \u201cOutlook on ontologies in materials science\u201d): Patrick Lambrix, Javad Chamanara, Carsten Baldauf, Tatyana Sheveleva, Benjamin Regler, Alvin Noe Ladines, Christoph T. Koch, Christof W\u00f6ll, Stefano Cozzini, Astrid Schneidewind, Maja-Olivia Himmer; Ground-state calculations (Section \u201cMetadata for ground-state electronic-structure calculations\u201d): Micael Oliveira, Sergey Levchenko; Perturbative and excited-states calculations (Section \u201cMetadata for external-perturbation and excited-state electronic-structure calculations\u201d): Claudia Draxl, Pasquale Pavone, Denis Usvyat; Potential-energy sampling (Section \u201cMetadata for potential-energy sampling\u201d): James Kermode, Tristan Bereau, Christian Carbogno, Omar Valsson, Markus K\u00fchbach, Chuanxun Su, Ron Miller, Berk Onat; Workflows (Section \u201cMetadata for Computational Workflows\u201d): Stefano Curtarolo, Shyam Dwaraknath, Adam Michalchuk, Giovanni Pizzi, Gian-Marco Rignanese, J\u00f6rg Schaarschmidt; Data formats (Section \u201cFile Formats\u201d): \u00c1d\u00e1m Fekete, Markus Scheidgen; Metadata for experiments (Section \u201cMetadata schemas for experimental materials science\u201d): Christoph T. Koch, Sandor Brockhauser, Astrid Schneidewind. Luca M. Ghiringhelli and Matthias Scheffler coordinated the formation of the work groups, participated to the discussions in several work groups, and prepared the first draft of the paper. All authors contributed to the final version of the paper.\n\nFunding \nOpen access funding enabled and organized by Projekt DEAL.\n\nCompeting interests \nThe authors declare no competing interests.\n\nReferences \n\n\n\u2191 Rickman, J.M.; Lookman, T.; Kalinin, S.V. (1 April 2019). \"Materials informatics: From the atomic-level to the continuum\" (in en). Acta Materialia 168: 473\u2013510. doi:10.1016\/j.actamat.2019.01.051. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1359645419300667 .   \n \n\n\u2191 Hey, Anthony J. G., ed. (2009). The fourth paradigm: data-intensive scientific discovery. Redmond, Washington: Microsoft Research. 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(1 February 2011). \"NanoParticle Ontology for cancer nanotechnology research\" (in en). Journal of Biomedical Informatics 44 (1): 59\u201374. doi:10.1016\/j.jbi.2010.03.001. PMC PMC3042056. PMID 20211274. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1532046410000341 .   \n \n\n\u2191 Hastings, Janna; Jeliazkova, Nina; Owen, Gareth; Tsiliki, Georgia; Munteanu, Cristian R; Steinbeck, Christoph; Willighagen, Egon (1 December 2015). \"eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment\" (in en). Journal of Biomedical Semantics 6 (1): 10. doi:10.1186\/s13326-015-0005-5. ISSN 2041-1480. PMC PMC4374589. PMID 25815161. http:\/\/www.jbiomedsem.com\/content\/6\/1\/10 .   \n \n\n\u2191 Li, Huanyu; Armiento, Rickard; Lambrix, Patrick (2020), Pan, Jeff Z.; Tamma, Valentina; d\u2019Amato, Claudia et al.., eds., \"An Ontology for the Materials Design Domain\" (in en), The Semantic Web \u2013 ISWC 2020 (Cham: Springer International Publishing) 12507: 212\u2013227, doi:10.1007\/978-3-030-62466-8_14, ISBN 978-3-030-62465-1, https:\/\/link.springer.com\/10.1007\/978-3-030-62466-8_14 . Retrieved 2023-11-07   \n \n\n\u2191 130.0 130.1 Li, Huanyu; Armiento, Rickard; Lambrix, Patrick (3 October 2019). \"A Method for Extending Ontologies with Application to the Materials Science Domain\" (in en). Data Science Journal 18: 50. doi:10.5334\/dsj-2019-050. ISSN 1683-1470. http:\/\/datascience.codata.org\/articles\/10.5334\/dsj-2019-050\/ .   \n \n\n\u2191 Lenz-Himmer, Maja-Olivia (27 April 2022) (in en). Towards Efficient Novel Materials Discovery. Humboldt-Universit\u00e4t Zu Berlin, Humboldt-Universit\u00e4t Zu Berlin. doi:10.18452\/24340. https:\/\/edoc.hu-berlin.de\/handle\/18452\/25237 .   \n \n\n\u2191 Kuban, Martin; Rigamonti, Santiago; Scheidgen, Markus; Draxl, Claudia (22 October 2022). \"Density-of-states similarity descriptor for unsupervised learning from materials data\" (in en). Scientific Data 9 (1): 646. doi:10.1038\/s41597-022-01754-z. ISSN 2052-4463. PMC PMC9587991. PMID 36273207. https:\/\/www.nature.com\/articles\/s41597-022-01754-z .   \n \n\n\u2191 Kuban, Martin; Gabaj, \u0160imon; Aggoune, Wahib; Vona, Cecilia; Rigamonti, Santiago; Draxl, Claudia (1 October 2022). \"Similarity of materials and data-quality assessment by fingerprinting\" (in en). MRS Bulletin 47 (10): 991\u2013999. doi:10.1557\/s43577-022-00339-w. ISSN 0883-7694. https:\/\/link.springer.com\/10.1557\/s43577-022-00339-w .   \n \n\n\u2191 \"Psi-k Network\". Psi-k Network. https:\/\/psi-k.net\/ . Retrieved 04 July 2023 .   \n \n\n\u2191 Olivetti, Elsa A.; Cole, Jacqueline M.; Kim, Edward; Kononova, Olga; Ceder, Gerbrand; Han, Thomas Yong-Jin; Hiszpanski, Anna M. (1 December 2020). \"Data-driven materials research enabled by natural language processing and information extraction\" (in en). Applied Physics Reviews 7 (4): 041317. doi:10.1063\/5.0021106. ISSN 1931-9401. https:\/\/pubs.aip.org\/apr\/article\/7\/4\/041317\/832109\/Data-driven-materials-research-enabled-by-natural .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. Several inline URLs from the original were turned into full citations for this version. The original didn't state what GW was; for this version, an explanation and citation was given for clarity. The URL to the EMMC and EMMO website was broken when adding this to LIMSwiki; an archived URL was used in its place.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Shared_metadata_for_data-centric_materials_science\">https:\/\/www.limswiki.org\/index.php\/Journal:Shared_metadata_for_data-centric_materials_science<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on data management and sharingLIMSwiki journal articles on materials informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 7 November 2023, at 22:13.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 701 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","0cf46ecff7f5e6b237b97e90c9676863_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Shared_metadata_for_data-centric_materials_science rootpage-Journal_Shared_metadata_for_data-centric_materials_science skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Shared metadata for data-centric materials science<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p>The expansive production of data in <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_science\" title=\"Materials science\" class=\"wiki-link\" data-key=\"89f5ce5de41da20cf3a2144a5731d5e6\">materials science<\/a>, as well as their widespread <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_sharing\" title=\"Data sharing\" class=\"wiki-link\" data-key=\"a99d5fda27f755c693c65864d9286130\">sharing<\/a> and repurposing, requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR data principles<\/a> (that ask for data and information to be findable, accessible, interoperable, and reusable) must not be too narrow. At the same time, the wider materials science community ought to agree on the strategies to tackle the challenges that are specific to its data, both from computations and experiments. In this paper, we present the result of the discussions held at the workshop on \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science.\u201d We start from an operative definition of <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a> and the features that a FAIR-compliant metadata schema should have. We will mainly focus on computational materials science data and propose a constructive approach for the \"FAIR-ification\" of the (meta)data related to ground-state and excited-states calculations, potential energy sampling, and generalized <a href=\"https:\/\/www.limswiki.org\/index.php\/Workflow\" title=\"Workflow\" class=\"wiki-link\" data-key=\"92bd8748272e20d891008dcb8243e8a8\">workflows<\/a>. Finally, challenges with the FAIR-ification of experimental (meta)data and materials science <a href=\"https:\/\/www.limswiki.org\/index.php\/Ontology_(information_science)\" title=\"Ontology (information science)\" class=\"wiki-link\" data-key=\"52d0664bde4b458e81fbc128b911a4a6\">ontologies<\/a> are presented, together with an outlook of how to meet them.\n<\/p><p><b>Keywords<\/b>: materials science, data sharing, FAIR data principles, file formats, metadata, ontologies, workflows\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction:_Metadata_and_FAIR_data_principles\">Introduction: Metadata and FAIR data principles<\/span><\/h2>\n<p>The amount of data that has been produced in <a href=\"https:\/\/www.limswiki.org\/index.php\/Materials_science\" title=\"Materials science\" class=\"wiki-link\" data-key=\"89f5ce5de41da20cf3a2144a5731d5e6\">materials science<\/a> up to today, and its day-by-day increase, are massive.<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> The dawn of the data-centric era<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup> requires that such data are not just stored, but also carefully annotated in order to find, access, and possibly reuse them. Terms of good practice to be adopted by the scientific community for the <a href=\"https:\/\/www.limswiki.org\/index.php\/Information_management\" title=\"Information management\" class=\"wiki-link\" data-key=\"f8672d270c0750a858ed940158ca0a73\">management<\/a> and stewardship of its data, the so-called <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR data principles<\/a>, have been compiled by the FORCE11 group.<sup id=\"rdp-ebb-cite_ref-:0_3-0\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup> Here, the acronym \"FAIR\" stands for \"findable, accessible, interoperable, and reusable,\" which applies not only to data but also to <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a>. Other terms for the \u201cR\u201d in FAIR are \u201crepurposable\u201d and \u201crecyclable.\u201d The former term indicates that data may be used for a different purpose than the original one for which they were created. The latter term hints at the fact that data in materials science are often exploited only once for supporting the thesis of a single publication, and then they are stored and forgotten. In this sense, they would constitute a \u201cwaste\u201d that can be recycled, provided that they can be found and they are properly annotated.\n<\/p><p>Before examining the meaning and importance of the four terms of the FAIR acronym, it is worth defining what metadata are with respect to data. To that purpose, we start by introducing the concept of a data object, which represents the collective storage of <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a> related to an elementary entry in a <a href=\"https:\/\/www.limswiki.org\/index.php\/Database\" title=\"Database\" class=\"wiki-link\" data-key=\"ac630f0b5e30cbe7fed1422999c2baad\">database<\/a>. One can consider it as a row in a table, where the columns can be occupied by simple scalars, higher-order mathematical objects, strings of characters, or even full documents (or other media objects). In the materials science context, a data object is the collection of attributes (the columns in the above-mentioned table) that represent a material or, even more fundamentally, a snapshot of the material captured by a single configuration of atoms, or it may be a set of measurements from well-defined equivalent <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a> (see below for a discussion on this concept). For instance, in computational materials science, the attributes of a data object could be both the inputs (e.g., the coordinates and chemical species of the atoms constituting the material, the description of the physical model used for calculating its properties), and the outputs (e.g., total energy, forces, electronic density of states, etc.) of a calculation. Logically and physically, inputs and outputs are at different levels, in the sense that the former determine the latter. Hence, one can consider the inputs as metadata describing the data, i.e., the outputs. In turn, the set of coordinates A that are metadata to some observed quantities, may be considered as data that depend on another set of coordinates B, and the forces acting on the atoms in that set A. So, the set of coordinates B and the acting forces are metadata to the set A, now regarded as data. Metadata can always be considered to be data as they could be objects of different, independent analyses than those performed on the calculated properties. In this respect, whether an attribute of a data object is data or metadata depends on the context. This simple example also depicts a provenance relationship between the data and their metadata.\n<\/p><p>The above discussion can be summarized in a more general definition of the term metadata: \n<\/p>\n<blockquote><p>Metadata are attributes that are necessary to locate, fully characterize, and ultimately reproduce other attributes that are identified as data.<\/p><\/blockquote> \n<p>The metadata include a clear and unambiguous description of the data as well as their full provenance. This definition is reminiscent of the definition given by the National Institute of Standards and Technology (NIST)<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup>: \u201cStructured information that describes, explains, locates, or otherwise makes it easier to retrieve, use, or manage an information resource. Metadata is often called data about information or information about information.\u201d With our definition, we highlight the role of data \u201creproducibility,\u201d which is crucial in science.\n<\/p><p>Within the \u201cfull characterization\u201d requirement, we highlight interpretation of the data as a crucial aspect. In other words, the metadata must provide enough information on a stored value (therein including, e.g., adimensional constants) to make it unambiguous whether two data objects may be compared with respect to the value of a given attribute or not.\n<\/p><p>Next, we should notice that, whereas in computational materials science the concept of data object identified by a single atomic configuration is well defined, in experimental materials science the concept of a class of equivalent samples is very hard to implement operationally. For instance, a single specimen can be altered by a measurement operation and thus cannot, strictly speaking, be measured twice. At the same time, two specimens prepared with the same synthesis recipe, may differ in substantial aspects due to the presence of different impurities or even crystal phases, thus yielding different values of a measured quantity. In this respect, here we use the term \"equivalent sample\" in its abstract, ideal meaning, but we also mention that one of the main purposes of introducing well-defined metadata in materials science is to provide enough characterization of experimental samples to put into practice the concept of equivalent samples.\n<\/p><p>The need for storing and characterizing data by means of metadata is determined by two main aspects, related to data usage. The first aspect is as old as science: reproducibility. In an experiment or computation, all the necessary information needed to reproduce the measured\/calculated data (i.e., the metadata) should be recorded, stored, and retrievable. The second aspect becomes prominent with the demand for reusability. Data can and should be also usable for purposes that were not anticipated at the time they were recorded. A useful way of looking at metadata is that they are attributes of data objects answering the questions who, what, when, where, why, and how. For example, \u201cWho has produced the data?\u201d, \u201cWhat are the data expected to represent (in physical terms)?\u201d, \u201cWhen were they produced?\u201d, \u201cWhere are they stored?\u201d, \u201cFor what purpose were they produced?\u201d, and \u201cBy means of which methods were the data obtained?\u201d. The latter two questions also refer to the concept of provenance, i.e., the logical sequence of operations that determine, ideally univocally, the data. Keeping track of the provenance requires the possibility to record the whole <a href=\"https:\/\/www.limswiki.org\/index.php\/Workflow\" title=\"Workflow\" class=\"wiki-link\" data-key=\"92bd8748272e20d891008dcb8243e8a8\">workflow<\/a> that has lead to some calculated or measured properties (for more details, see the later section \u201cMetadata for computational workflows\u201d).\n<\/p><p>From a practical point of view, the metadata are organized in a schema. We summarize what the FAIR principles imply in terms of a metadata schema as follows:\n<\/p>\n<ul><li><b>Findability<\/b> is achieved by assigning unique and persistent identifiers (PIDs) to data and metadata, describing data with rich metadata, and registering (see below) the (meta)data in searchable resources. Widely known examples of PIDs are digital object identifiers (DOIs) and (permanent) Uniform Resource Identifiers (URIs). According to ISO\/IEC 11179, a metadata registry (MDR) is a database of metadata that supports the functionality of registration. Registration accomplishes three main goals: identification, provenance, and monitoring <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a>. Furthermore, an MDR manages the semantics of the metadata, i.e., the relationships (connections) among them.<\/li>\n<li><b>Accessibility<\/b> is enabled by <a href=\"https:\/\/www.limswiki.org\/index.php\/Application_programming_interface\" title=\"Application programming interface\" class=\"wiki-link\" data-key=\"36fc319869eba4613cb0854b421b0934\">application programming interfaces<\/a> (APIs), which allow one to query and retrieve single entries as well as entire archives.<\/li>\n<li><b>Interoperability<\/b> implies the use of formal, accessible, shared, and broadly applicable languages for knowledge representation (these are known as formal <a href=\"https:\/\/www.limswiki.org\/index.php\/Ontology_(information_science)\" title=\"Ontology (information science)\" class=\"wiki-link\" data-key=\"52d0664bde4b458e81fbc128b911a4a6\">ontologies<\/a> and will be discussed in the later section \u201cOutlook on ontologies in materials science\u201d), use of vocabularies to annotate data and metadata, and inclusion of references.<\/li>\n<li><b>Reusability<\/b> hints at the fact that data in materials science are often exploited only once for a focus-oriented research project, and many data are not even properly stored as they turned out to be irrelevant for the focus. In this sense, many data constitute a \u201cwaste\u201d that can be recycled, provided that the data can be found and they are properly annotated.<\/li><\/ul>\n<p>Establishing one or more metadata schemas that are FAIR-compliant, and that therefore enable the materials science community to efficiently share the heterogeneously and decentrally produced data, needs to be a community effort. The workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop\u201d was organized and held in Berlin in July 2019 to ignite this effort. In the following sections, we describe the identified challenges and first-stage plans, divided into different aspects that are crucial to be addressed in computational materials science.\n<\/p><p>In the next section, we describe the identified challenges and first plans for FAIR metadata schemas for computational materials science, where we also summarize as an example the main ideas behind the metadata schema implemented in the Novel-Materials Discovery (NOMAD) Laboratory for storing and managing millions of data objects produced by means of atomistic calculations (both <i>ab initio<\/i> and molecular mechanics), employing tens of different codes, which cover the overwhelming majority of what is actually used in terms of volume-of-data production in the community. We then follow with more detailed sections discussing the specific challenges related to interoperability and reusability for ground-state calculations (Section \u201cMetadata for ground-state electronic-structure calculations\u201d), perturbative and excited-state calculations (Section \u201cMetadata for external-perturbation and excited-state electronic-structure calculations\u201d), potential-energy sampling (molecular-dynamics and more, Section \u201cMetadata for potential-energy sampling\u201d), and generalized workflows (Section \u201cMetadata for computational workflows\u201d) are addressed in detail in the following sections. Challenges related to the choice of file formats are discussed in Section \u201cFile Formats.\u201d An outlook on metadata schema(s) for experimental materials science and on the introduction of formal ontologies for materials science databases constitute Sections \u201cMetadata schemas for experimental materials science\u201d and \u201cOutlook on ontologies in materials science,\u201d respectively.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Towards_FAIR_metadata_schemas_for_computational_materials_science\">Towards FAIR metadata schemas for computational materials science<\/span><\/h2>\n<p>The materials science community has realized long ago that it is necessary to structure data by means of metadata schemas. In this section, we describe the pioneering and recent examples of such schemas, and how a metadata schema becomes FAIR-compliant.\n<\/p><p>To our knowledge, the first systematic effort to build a metadata schema for exchanging data in chemistry and materials science is CIF, an acronym that originally stood for \"Crystallographic Information File,\" the data exchange standard file format introduced in 1991 by Hall, Allen and Brown.<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup> Later, the CIF acronym was extended to also mean \"Crystallographic Information Framework\"<sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup>, a broader system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations. These include the Crystallographic Information File itself, but also, for instance, XML (<a href=\"https:\/\/www.limswiki.org\/index.php\/Extensible_Markup_Language\" title=\"Extensible Markup Language\" class=\"wiki-link\" data-key=\"f7c17028e7fb39d8b39c6d31504411a8\">Extensible Markup Language<\/a>), a general framework for encoding text documents in a format that is meant to be at the same time human and machine readable. CIF was developed by the International Union of Crystallography (IUCr) working party on Crystallographic Information and was adopted in 1990 as a standard file structure for the archiving and distribution of crystallographic information. It is now well established and is in regular use for reporting <a href=\"https:\/\/www.limswiki.org\/index.php\/Crystal_structure\" title=\"Crystal structure\" class=\"wiki-link\" data-key=\"b2fe876d60c91cd184335e4d7882e976\">crystal structure<\/a> determinations to <i>Acta Crystallographica<\/i> and other journals. More recently, CIF has been adapted to different areas of science such as structural biology (mmCIF, the macromolecular CIF<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup>) and <a href=\"https:\/\/www.limswiki.org\/index.php\/Spectroscopy\" title=\"Spectroscopy\" class=\"wiki-link\" data-key=\"2babfd09e1f6d00d86ad7032cbb60d91\">spectroscopy<\/a>.<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup> The CIF framework includes strict syntax definition in a machine-readable form and dictionary defining (meta)data items. It has been noted that the adoption of the CIF framework in IUCr publications has allowed for a significant reduction of the amount of errors in published crystal structures.<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup>\n<\/p><p>An early example of an exhaustive metadata schema for chemistry and materials science is the Chemical Markup Language (CML)<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:1_14-0\" class=\"reference\"><a href=\"#cite_note-:1-14\">[14]<\/a><\/sup>, whose first public version was released in 1995. CML is a dictionary, encoded in XML for chemical metadata. CML is accessible (for reading, writing, and validation) via the Java library JUMBO (Java Universal Molecular\/Markup Browser for Objects).<sup id=\"rdp-ebb-cite_ref-:1_14-1\" class=\"reference\"><a href=\"#cite_note-:1-14\">[14]<\/a><\/sup> The general idea of CML is to represent with a common language all kinds of documents that contain chemical data, even though currently the language\u2014as of the latest update in 2012<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup>\u2014covers mainly the description of molecules (e.g., IUPAC name, atomic coordinates, bond distances) and of inputs\/outputs of computational chemistry codes such as Gaussian03<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> and NWChem.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> Specifically, in the CML representation of computational chemistry calculations<sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup>, (ideally) all the information on a simulation that is contained in the input and output files is mapped onto a format that is in principle independent of the code itself. Such information is:\n<\/p>\n<ul><li>Administrative data like the code version, libraries for the compilation, hardware, user submitting the job;<\/li>\n<li>Materials-specific (or materials-snapshot-specific) data like computed structure (e.g., atomic species, coordinates), the physical method (e.g., electronic exchange-correlation treatment, relativistic treatment), numerical settings (basis set, integration grids, etc.);<\/li>\n<li>Computed quantities (energies, forces, sequence of atomic positions in case a structure relaxation or some dynamical propagation of the system is performed, etc.).<\/li><\/ul>\n<p>The different types of information are hierarchically organized in modules, e.g., environment (for the code version, hardware, run date, etc.), initialization (for the exchange correlation treatment, spin, charge), molgeom (for the atomic coordinates and the localized basis set specification), and finalization (for the energies, forces, etc.). The most recent release of the CML schema contains more than 500 metadata-schema items, i.e., unique entries in the metadata schema. It is worth noticing that CIF is the dictionary of choice for the crystallography domain within CML.\n<\/p><p>Another long-standing activity is JCAMP-DX (Joint Committee on Atomic and Molecular Physical Data - Data Exchange)<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup>, a standard file format for exchange of infrared spectra and related chemical and physical information that was established in 1988 and then updated with IUPAC recommendations until 2004. It contains standard dictionaries for infrared spectroscopy, chemical structure, nuclear magnetic resonance (NMR) spectroscopy<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup>, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Mass_spectrometry\" title=\"Mass spectrometry\" class=\"wiki-link\" data-key=\"fb548eafe2596c35d7ea741849aa83d4\">mass spectrometry<\/a><sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup>, and ion-mobility spectrometry.<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup> The European Theoretical Spectroscopy Facility (ETSF) File Format Specifications were proposed in 2007<sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup>, in the context of the European Network of Excellence NANOQUANTA, in order to overcome widely known portability issues of input\/output file formats across platforms. The Electronic Structure Common Data Format (ESCDF) Specifications<sup id=\"rdp-ebb-cite_ref-:2_26-0\" class=\"reference\"><a href=\"#cite_note-:2-26\">[26]<\/a><\/sup> is the ongoing continuation of the ETSF project and is part of the CECAM Electronic Structure Library, a community-maintained collection of software libraries and data standards for electronic-structure calculations.<sup id=\"rdp-ebb-cite_ref-27\" class=\"reference\"><a href=\"#cite_note-27\">[27]<\/a><\/sup>\n<\/p><p>The largest databases of computational materials science data, AFLOW<sup id=\"rdp-ebb-cite_ref-:4_28-0\" class=\"reference\"><a href=\"#cite_note-:4-28\">[28]<\/a><\/sup>, Materials Cloud<sup id=\"rdp-ebb-cite_ref-:5_29-0\" class=\"reference\"><a href=\"#cite_note-:5-29\">[29]<\/a><\/sup>, Materials Project<sup id=\"rdp-ebb-cite_ref-30\" class=\"reference\"><a href=\"#cite_note-30\">[30]<\/a><\/sup>, the NOMAD Repository and Archive<sup id=\"rdp-ebb-cite_ref-:6_31-0\" class=\"reference\"><a href=\"#cite_note-:6-31\">[31]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-32\" class=\"reference\"><a href=\"#cite_note-32\">[32]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-33\" class=\"reference\"><a href=\"#cite_note-33\">[33]<\/a><\/sup>, OQMD<sup id=\"rdp-ebb-cite_ref-34\" class=\"reference\"><a href=\"#cite_note-34\">[34]<\/a><\/sup>, and TCOD<sup id=\"rdp-ebb-cite_ref-35\" class=\"reference\"><a href=\"#cite_note-35\">[35]<\/a><\/sup> offer APIs that rely on dedicated metadata schemas. Similarly, AiiDA<sup id=\"rdp-ebb-cite_ref-:7_36-0\" class=\"reference\"><a href=\"#cite_note-:7-36\">[36]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-37\" class=\"reference\"><a href=\"#cite_note-37\">[37]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-38\" class=\"reference\"><a href=\"#cite_note-38\">[38]<\/a><\/sup> and ASE<sup id=\"rdp-ebb-cite_ref-:8_39-0\" class=\"reference\"><a href=\"#cite_note-:8-39\">[39]<\/a><\/sup>, which are schedulers and workflow managers for computational materials science calculations, adopt their own metadata schema. OpenKIM<sup id=\"rdp-ebb-cite_ref-:9_40-0\" class=\"reference\"><a href=\"#cite_note-:9-40\">[40]<\/a><\/sup> is a library of interatomic models (force fields) and simulation codes that test the predictions of these models, complemented with the necessary first-principles and experimental reference data. Within OpenKIM, a metadata schema is defined for the annotation of the models and reference data. Some of the metadata in all these schemas are straightforward to map onto each other (e.g., those related to the structure of the studied system, i.e., atomic coordinates and species, and simulation-cell specification), others can be mapped with some care. The OPTIMADE (Open Databases Integration for Materials Design<sup id=\"rdp-ebb-cite_ref-:3_41-0\" class=\"reference\"><a href=\"#cite_note-:3-41\">[41]<\/a><\/sup>) consortium has recognized this potential and has recently released the first version of an API that allows users to access a common subset of metadata-schema items, independent of the schema adopted for any specific database\/repository that is part of the consortium.\n<\/p><p>In order to clarify how a metadata schema can explicitly be FAIR-compliant, we describe as an example the main features of the NOMAD Metainfo, onto which the information contained in the input and output files of atomistic codes, both <i>ab initio<\/i> and force-field based, is mapped. The first released version of the NOMAD Metainfo is described by Ghiringhelli <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_26-1\" class=\"reference\"><a href=\"#cite_note-:2-26\">[26]<\/a><\/sup> and it has powered the NOMAD Archive since the latter went online in 2014, thus predating the formal introduction of the FAIR data principles.<sup id=\"rdp-ebb-cite_ref-:0_3-1\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup>\n<\/p><p>Here, we give a simplified description, graphically aided by Fig. 1, which highlights the hierarchical\/modular architecture of the metadata schema. The elementary mode in which an atomistic materials science code is run (encompassed by the black rectangle) yields the computation of some observables (Output) for a given System, specified in terms of atomic species arranged by their coordinates in a box, and for a given physical model (Method), including specification of its numerical implementation. Sequences or collections of such runs are often defined via a Workflow. Examples of workflows are:\n<\/p>\n<ul><li>Perturbative physical models (e.g., second-order M\u00f8ller\u2013Plesset, MP2, Green\u2019s function based methods such as G0W0, random-phase approximation, RPA) evaluated using self-consistent solutions provided by other models (e.g., density-functional theory, DFT, Hartree-Fock method, HF) applied on the same System;<\/li>\n<li>Sampling of some desired thermodynamic ensemble by means of, e.g., molecular dynamics;<\/li>\n<li>Global- and local-minima structure searches;<\/li>\n<li>Numerical evaluations of equations of state, phonons, or elastic constants by evaluating energies, forces, and possibly other observables; and<\/li>\n<li>Scans over the compositional space for a given class of materials (high-throughput screening).<\/li><\/ul>\n<p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Ghiringhelli_SciData23_10.png\" class=\"image wiki-link\" data-key=\"cfc32d8bd5e2260508cfa24089e72a84\"><img alt=\"Fig1 Ghiringhelli SciData23 10.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/0\/04\/Fig1_Ghiringhelli_SciData23_10.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> Simplified schema of the NOMAD Metainfo. The rectangles symbolize the section-type metadata, for each section a few examples of therein contained quantity-type or (sub)sections metadata are listed. Sections are always written in bold font. The solid arrows stand for the <tt>is contained in<\/tt> relationship, while the dashed arrows are for the <tt>has reference in<\/tt> relationship.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The workflows can also be nested, e.g., a scan over materials (different compositions and\/or crystal structures) contains a local optimization for each material and extra calculations based on each local optimum structure such as evaluation of phonons, bulk modulus, or elastic constants, etc.\n<\/p><p>The NOMAD Metainfo organizes metadata into sections, which are represented in Fig. 1 by the labeled boxes. The sections are a type of metadata, which group other metadata, e.g., other sections or quantity-type metadata. The latter are metadata related to scalars, tensors, and strings, which represent the physical quantities resulting from calculations or measurements. In a relational database model, the sections would correspond to tables, where the data objects would be the rows, and the quantity-type metadata the columns. In its most simple realization, a metadata schema is a key-value dictionary, where the key is a name identifying a given metadata. In NOMAD Metainfo, similarly to CML, the key is a complex entity grouping the several attributes. Each item in NOMAD Metainfo has attributes, starting with its name, a string that must be globally unique, well defined, intuitive, and as short as possible. Other attributes are the human-understandable description, which clarifies the meaning of the metadata, the parent section, i.e., the section the metadata belongs to, and the type, whether the metadata is, e.g., a section or a quantity. Another possible type, the category type, will be discussed below. For the quantity-type metadata, other important attributes are physical units and shape, i.e., the dimensions (scalar, vector of a certain length, a matrix with a certain number of rows and columns, etc.), and allowed values, for metadata that admit only a discrete and finite set of values.\n<\/p><p>All definitions in the NOMAD Metainfo have the following attributes:\n<\/p>\n<ul><li>A globally unique qualified name;<\/li>\n<li>Human-readable\/interpretable description and expected format (e.g., scalar, string of a given length, array of given size);<\/li>\n<li>Allowed values;<\/li>\n<li>Provenance, which is realized in terms of a hierarchical and modular schema, where each data object is linked to all the metadata that concur to its definition. Related to provenance, an important aspect of NOMAD Metainfo is its extensibility. It stems from the recognition that reproducibility is an empirical concept, thus at any time, new, previously unknown or disregarded metadata may be recognized as necessary. The metadata schema must be ready to accommodate such extensions seamlessly.<\/li><\/ul>\n<p>The representation in Fig. 1 is very simplified for tutorial purposes. For instance, a workflow can be arbitrarily complex. In particular, it may contain a hierarchy of sub-workflows. In the currently released version of the NOMAD Metainfo, the elementary-code-run modality is fully supported, i.e., ideally all the information contained in a code run is mapped onto the metadata schema. However, the workflow modality is still under development. An important implication of the hierarchical schema is the mapping of any (complex) workflow onto the schema. That way, all the information obtained by its steps is stored. This is achieved by parsers, which have been written by the NOMAD team for each supported simulation code. One of the outcomes of the parsing is the assignment of a PID to each parsed data object, thus allowing for its localization, e.g., via a URI.\n<\/p><p>The NOMAD Metainfo is inspired by the CML, in particular in being hierarchical\/modular. Each instance of a metadata-schema is uniquely identified, so that it can be associated with a URI for its convenient accessibility. An instance of a metadata schema can be generated by using a dedicated parser by pairing each parsed value with its corresponding metadata label. As an example, in Listing 1, we show a portion of the YAML file (see section \u201cFile Formats\u201d) instantiating Metainfo for a specific entry of the NOMAD Archive. This entry can be searched by typing \u201centry_id\u2009=\u2009zvUhEDeW43JQjEHOdvmy8pRu-GEq\u201d in the search bar at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/prod\/v1\/gui\/search\/entries\" target=\"_blank\">https:\/\/nomad-lab.eu\/prod\/v1\/gui\/search\/entries<\/a>. In Listing 1, key-value pairs are visible, as well as the nested-section structuring.\n<\/p><p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:List1_Ghiringhelli_SciData23_10.png\" class=\"image wiki-link\" data-key=\"1160da072330bb5d5fb774c1beb5fd04\"><img alt=\"List1 Ghiringhelli SciData23 10.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/4b\/List1_Ghiringhelli_SciData23_10.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Listing 1.<\/b> A portion of a YAML file instantiating Metainfo for one entry of the NOMAD Archive.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The modularity and uniqueness together allow for a straightforward extensibility, including customization, i.e., introduction of metadata-schema items that do not need to be shared among all users, but may be used by a smaller subset of users, without conflicts.\n<\/p><p>In Fig. 1, the solid arrows stand for the relationship is contained in between section-type metadata. A few examples of quantity-type metadata are listed in each box\/section. Such metadata are also in an <tt>is-contained-in<\/tt> relationship with the section they are listed in. The dashed arrows symbolize the relationship <tt>has reference in<\/tt>. In practice, in the example of an Output section, the quantity-type metadata contained in such a section are evaluated for a given system described in a System section and for a given physical model described in a Method section. So, the section Output contains a reference to the specific System and Method sections holding the necessary input information. At the same time, the Output section is contained in a given Atomistic-code run section. These relationships among metadata already build a basic ontology, induced by the way computational data are produced in practice, by means of workflows and code runs. This aspect will be reexamined in the later Section \u201cOutlook on ontologies in materials science.\u201d\n<\/p><p>We now come to the <tt>category-type<\/tt> metadata that allow for complementary, arbitrarily complex ontologies to be built by starting from the same metadata. They define a concept, such as \u201cenergy\u201d or \u201cenergy component,\u201d in order to specify that a given quantity-type metadata has a certain meaning, be it physical (such as \u201cenergy\u201d) or computer-hardware related, or administrative. To the purpose, each section and quantity-type metadata is related to a category-type metadata, by means of an <tt>is-a<\/tt> kind of relationship. Each category-type metadata can be related to another category-type metadata by means of the same <tt>is-a<\/tt> relationship, thus building another ontology on the metadata, which can be connected with top-down ontologies such as EMMO<sup id=\"rdp-ebb-cite_ref-:10_42-0\" class=\"reference\"><a href=\"#cite_note-:10-42\">[42]<\/a><\/sup> (see Section \u201cOutlook on ontologies in materials science\u201d for a short description of EMMO).\n<\/p><p>The current version of NOMAD Metainfo includes more than 400 metadata-schema items. More specifically, these are the common metadata, i.e., those that are code-independent. Hundreds more metadata are code-specific, i.e., mapping pieces of information in the codes\u2019 input\/output that are specific to a given code and not transferable to other codes. The NOMAD Metainfo can be browsed at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/nomad-lab.eu\/prod\/v1\/gui\/analyze\/metainfo\" target=\"_blank\">https:\/\/nomad-lab.eu\/prod\/v1\/gui\/analyze\/metainfo<\/a>.\n<\/p><p>To summarize, the NOMAD Metainfo addresses the FAIR data principles in the following sense:\n<\/p>\n<ul><li><b>Findability<\/b> is enabled by unique names and a human-understandable description;<\/li>\n<li><b>Accessibility<\/b> is enabled by the PID assigned to each metadata-schema item, which can be accessed via a RESTful<sup id=\"rdp-ebb-cite_ref-43\" class=\"reference\"><a href=\"#cite_note-43\">[43]<\/a><\/sup> API (i.e., an API supporting the access via web services, through common protocols, such as HTTP), specifically developed for the NOMAD Metainfo. Essentially all NOMAD data are open-access, and users who wish to search and download data do not need to identify themselves. They only need to accept the CC BY license. Uploaders can decide for an embargo. These data are then shared with a selected group of colleagues.<\/li>\n<li><b>Interoperability<\/b> is enabled by the extensibility of the schema and the <tt>category-type<\/tt> metadata, which can be linked to existing and future ontologies (see Section \u201cOutlook on ontologies in materials science\u201d).<\/li>\n<li><b>Reusability\/Repurposability\/Recyclability<\/b> is enabled by the modular\/hierarchical structure that allows for accessing calculations at different abstraction scales, from the single observables in a code run to a whole complex workflow (see Section \u201cMetadata for Computational Workflows\u201d).<\/li><\/ul>\n<p>The usefulness and versatility of a metadata schema are demonstrated by the multiple access modalities it allows for. The NOMAD Metainfo schema is the basis of the whole NOMAD Laboratory infrastructure, which supports access to all the data in the NOMAD Archive, via the NOMAD API (also an implementation of the OPTIMADE API<sup id=\"rdp-ebb-cite_ref-:3_41-1\" class=\"reference\"><a href=\"#cite_note-:3-41\">[41]<\/a><\/sup> is supported). This API powers three different access modes of the Archive: the Browser<sup id=\"rdp-ebb-cite_ref-44\" class=\"reference\"><a href=\"#cite_note-44\">[44]<\/a><\/sup>, which allows searches for single or groups of calculations, the Encyclopedia<sup id=\"rdp-ebb-cite_ref-45\" class=\"reference\"><a href=\"#cite_note-45\">[45]<\/a><\/sup>, which display the content of the Archive organized by materials, and the <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">Artificial-Intelligence<\/a> (AI) Toolkit<sup id=\"rdp-ebb-cite_ref-46\" class=\"reference\"><a href=\"#cite_note-46\">[46]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-47\" class=\"reference\"><a href=\"#cite_note-47\">[47]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-48\" class=\"reference\"><a href=\"#cite_note-48\">[48]<\/a><\/sup>, which connects in <a href=\"https:\/\/www.limswiki.org\/index.php\/Jupyter_Notebook\" title=\"Jupyter Notebook\" class=\"wiki-link\" data-key=\"26fd35430c10e009a142bbab5dbf617a\">Jupyter Notebook<\/a>'s script-based queries and AI (<a href=\"https:\/\/www.limswiki.org\/index.php\/Machine_learning\" title=\"Machine learning\" class=\"wiki-link\" data-key=\"79aab39cfa124c958cd1dbcab3dde122\">machine learning<\/a> [ML], <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_mining\" title=\"Data mining\" class=\"wiki-link\" data-key=\"be09d3680fe1608addedf6f62692ee47\">data mining<\/a>) analyses of the filtered data. All the three services are accessible via a web browser running the dedicated GUI offered by NOMAD.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metadata_for_ground-state_electronic-structure_calculations\">Metadata for ground-state electronic-structure calculations<\/span><\/h2>\n<p>By ground-state calculations, we mean calculations of the electronic structure\u2014e.g., eigenvalues and eigenfunctions of the single-particle Kohn-Sham equations, the electron density, the total energy and possibly its derivatives (forces, force constants)\u2014for a fixed configuration of nuclei. This refers to a point located on the Born-Oppenheimer potential-energy surface, and is a necessary step in geometry optimization, molecular dynamics, the computation of vibrational (phonon) spectra or elastic constants, and more. Thus, ground-state calculations represent the most common task in computational materials science, and the involved approximations are relatively well established. For this reason, they are already extensively covered by the NOMAD Metainfo. Nevertheless, some challenges in defining metadata for such calculations still remain, as discussed below. In particular, density-functional theory (DFT) is the workhorse approach for the great majority of ground-state calculations in materials science. Highly accurate quantum-chemistry models are more computationally expensive than DFT and their use in applications is less widespread. However, they can provide accurate benchmark references for DFT, making high-quality quantum-chemical data essential also for DFT-based studies. Below we analyze the ground-state electronic structure calculations mainly in reference to DFT, but most of the stated principles are also valid for quantum-chemical calculations. A detailed discussion of the latter is deferred to Section \u201cQuantum-chemistry methods.\u201d\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Approximations_to_the_DFT_exchange-correlation_functional\">Approximations to the DFT exchange-correlation functional<\/span><\/h3>\n<p>Approximations to the DFT exchange-correlation (xc) functionals are identified by a name or acronym (e.g., \u201cPBE\u201d), although sometimes this identification is not unique or complete. As metadata, we suggest to use the identifiers of the Libxc library<sup id=\"rdp-ebb-cite_ref-49\" class=\"reference\"><a href=\"#cite_note-49\">[49]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-50\" class=\"reference\"><a href=\"#cite_note-50\">[50]<\/a><\/sup>, which is the largest bibliography of xc functionals. In order to be both human and computer friendly, the Libxc identifiers consist of a human-readable string that has a unique integer associated with it. Often, the above-noted identification needs some refinement, because xc functionals typically depend on a set of parameters and these may be modified for a given calculation. Obviously, there is a need to standardize the way in which such parameters are referenced. Just like it is possible to use the Libxc identifiers for the functionals themselves, one may also use the Libxc naming scheme for their internal parameters. Obviously, code developers have to ensure that this information is contained in the respective input and\/or output files. As Libxc provides version numbers of the xc functionals, it is important that this information is also available.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Basic_sets\">Basic sets<\/span><\/h3>\n<p>Complete and unambiguous specification of the basis set is crucial for judging the precision of a calculation. Ground-state calculations should include the full information about the basis sets used, including a DOI that a basis may be referred to. The use of repositories of basis sets, like the Basis Set Exchange repository<sup id=\"rdp-ebb-cite_ref-51\" class=\"reference\"><a href=\"#cite_note-51\">[51]<\/a><\/sup>, is therefore strongly recommended.\n<\/p><p>Basis sets can be coarsely divided into two classes, i.e., atom-position-dependent (atom-centered, bond-centered) and cell-dependent (such as plane waves) ones. Also, a combination of both is possible, as, e.g., realized in augmented plane-wave or projector-augmented-wave methods. For the atom-centered basis, the list of centers needs to be provided, and these may even contain positions where no actual atomic nucleus is located. The NOMAD Metainfo contains a rather complete set of metadata to describe atom-centered basis sets. A more complete description of cell-dependent basis sets can be found in the ESCDF, which is planned to be merged with the NOMAD Metainfo.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Energy_reference\">Energy reference<\/span><\/h3>\n<p>In order to enable interoperability and reusability of energies computed with different electronic-structure methods, it is necessary to define a \u201cgeneral energy zero.\u201d An analysis of this problem and some clues on how to tackle it were already discussed by some of us in a previous work.<sup id=\"rdp-ebb-cite_ref-:2_26-2\" class=\"reference\"><a href=\"#cite_note-:2-26\">[26]<\/a><\/sup> The following is a further attempt to advance and systematize ideas and solutions.\n<\/p><p>The problem of comparing energies is not restricted to computational materials science and chemistry. In fact, it also arises in experimental chemistry, as for instance, only enthalpy or entropy differences can be measured, but not absolute values. To solve this, chemists have defined a reference state for each element, called the \"standard state,\" which is defined as the element in its natural form at standard conditions, while the heat of formation is used to measure the change from the elements to the compound. In computational materials science and chemistry, we can adopt a similar approach. For each element we need to define a reference system as the zero of the energy scale. To do so, we introduce some definitions:\n<\/p>\n<ul><li>A system is a defined set of one or more atoms, with a given geometry and, if periodic, a given unit cell. It can be an atom, a molecule, a periodic crystal, etc. If relevant, the charge, the spin-state or magnetic ordering needs to be specified.<\/li>\n<li>A reference system is a well-defined system to which other systems are compared to.<\/li>\n<li>A calculated energy is the energy obtained by a numerical simulation of a system with given input data and parameters, defining the Hamiltonian (i.e., DFT xc-functional approximation) or the many-electron model (e.g., Hartree-Fock, MP2, \u201ccoupled-cluster singles, doubles, and perturbative triples\u201d, CCSD[T]), the basis set, and the numerical parameters.<\/li><\/ul>\n<p>Whether the reference system is an atom, an element in its natural form, some molecule or other system, does not matter, as long as it is well-defined. Defining the system by atoms requires specifying how the orbitals are occupied, whether the atom is spherical, spin-polarized, etc. For each computational method and numerical settings, the energy per atom of the reference system must be calculated. The standard energy is then obtained by subtracting these values (multiplied by the number of constituents) from the calculated total energy. For example, to determine the energy of formation of a molecule like H<sub>2<\/sub>O or a crystal like SiC, we calculate the difference in total energies as <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/37edb1ecebb7b5491c4b739241e147339b61a77b\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -1.838ex; width:30.167ex; height:5.176ex;\" alt=\"{\\displaystyle E\\left(H_{2}O\\right)-E\\left(H_{2}\\right)-{\\frac {1}{2}}E\\left(O_{2}\\right)}\"\/><\/span> or <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/52347a75cb8f96800aa2dc0274d1199361ca80a0\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -0.838ex; width:25.346ex; height:2.843ex;\" alt=\"{\\displaystyle E\\left({SiC}\\right)-E\\left({Si}\\right)-E(C)}\"\/><\/span>, respectively. Here, H<sub>2<\/sub> and O<sub>2<\/sub> are isolated, neutral molecules while Si and C are free, neutral atoms. However, using the energy per atom of Si and C in their crystalline ground-state structure would be an option as well. We propose to tabulate the reference energies for the most common computational methods, so that they can be applied without further computations and preferably automatically by the codes themselves.\n<\/p><p>Finally, we need to define what is meant by a computational method. The Hamiltonian and DFT functional are clearly part of the definition, as is the basis set and the potential shape (including pseudopotentials (PP) and effective core potentials). The specific implementation may also be relevant. Gaussian-based molecular-orbital codes may give the same energy for an identical setup (see Section \u201cQuantum-chemistry methods\u201d), while plane-wave DFT codes may not.\n<\/p><p>One factor here is the choice of the PP. Irrespective of the used method, the computational settings determine the quality of a calculation. Most decisive here is the basis-set cut-off. For the plane-wave basis, convergence with respect to this parameter is straightforward. In any case, depending on the code, the method and details of the calculation, care needs to be taken to define all the adjustable parameters that significantly affect the energy when defining computational methods.\n<\/p><p>To tabulate standard energies, as suggested above, every computational method needs to be applied to all reference systems. This requires care in choosing the reference systems to ensure that an as-wide-as-possible range of codes and methods are actually suited for these calculations. It may be that some codes cannot constrain the occupancies of atoms, or keep them spherical, which would be a problem if spherical atoms were chosen as the reference. Clearly, periodic crystals such as silicon are not suitable for molecular codes. It is possible, however, that some other codes could help with bridging this gap. For example, FHI-aims<sup id=\"rdp-ebb-cite_ref-52\" class=\"reference\"><a href=\"#cite_note-52\">[52]<\/a><\/sup> is not only capable of simulating crystalline system, but can also handle atoms and molecules and it can employ Gaussian-type orbitals (GTO) basis sets. Thus, FHI-aims is able to reproduce energy differences between atoms\/molecules and crystals. In this way, it can support codes such as Gaussian16 or GAMESS.<sup id=\"rdp-ebb-cite_ref-53\" class=\"reference\"><a href=\"#cite_note-53\">[53]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metadata_for_external-perturbation_and_excited-state_electronic-structure_calculations\">Metadata for external-perturbation and excited-state electronic-structure calculations<\/span><\/h2>\n<p>A direct link from the DFT ground state (GS) to excitations is provided by time-dependent DFT (TDDFT). Alternatively, charged and neutral electronic excitations are described by means of Green-function approaches from many-body perturbation theory (MBPT). This route is predominantly (but not exclusively) used for the solid state, while TDDFT and quantum-chemistry approaches are typically preferred for finite systems. For strongly correlated materials, in turn, dynamical mean-field theory (DMFT) is often the methodology of choice, potentially combined with DFT and Green-function methods. Lattice excitations, if not directly treated by DFT molecular dynamics, are often handled by density-functional perturbation theory (DFTP); for their interaction with light, also Green-function techniques are used. DFPT not only allows for the description of vibrational properties, but also for treating macroscopic electric fields, applied macroscopic strains, or combinations of these. The type of perturbation is intimately related to the physical properties of interest, e.g., harmonic and anharmonic phonons, effective charges, Raman tensors, dielectric constants, hyper-polarizabilities, and many others.\n<\/p><p>Characterizing the corresponding research data is a very complex and complicated task, for various reasons. First, such calculations rely on an underlying ground-state calculation, and thus carry along all uncertainties from it. Second, the methodology for excited states is scientifically and technically more involved by including many-body effects that govern diverse interactions. The methods thus rely on various, often not fully characterized approximations.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Diagrammatic_techniques_and_TDDFT\">Diagrammatic techniques and TDDFT<\/span><\/h3>\n<p>The most common application of the <i>GW<\/i> approximation (the one-body Green's function <i>G<\/i> and the dynamically screened Coulomb interaction <i>W<\/i><sup id=\"rdp-ebb-cite_ref-54\" class=\"reference\"><a href=\"#cite_note-54\">[54]<\/a><\/sup>) is to compute quasi-particle energies, i.e., energies that describe the removal or addition of a single electron. For this, the many-body electron-electron interaction is described by a two-particle operator, called the electronic self-energy. To compute this object, on the technical side we may need an additional (auxiliary) basis set, not the same as the one used in the ground-state calculation, coming with additional parameters. Likewise, there are various ways for doing the analytical continuation of the Green\u2019s function, as there are various ways for carrying out the required frequency integration, possibly employing a plasmon-pole model as an approximation. And there are also different ways of how to evaluate the screened Coulomb potential <i>W<\/i>. Most important is the flavor of <i>GW<\/i>, i.e., whether it is done in a single-shot manner, called G0W0, or in a self-consistent way. If the latter, what kind of self-consistency (scf) is used; any type of partial scf, quasi-particle scf, or any other type which would remedy any starting-point dependence, i.e., the dependence of the results on the xc functional of the initial DFT (or Hartree-Fock or alike) used in the GS.\n<\/p><p>While <i>GW<\/i> approximation is the method of choice for quasi-particle energies (and potentially also life times) within the realm of MBPT, we need to solve the Bethe-Salpeter equation (BSE) to tackle electron-hole interactions. This approach should typically be applied on top of a <i>GW<\/i> calculation, but often the quasi-particle states are approximated by DFT results adjusted by a scissors operator to widen the band gap in a similar way to the latter. In all cases, BSE carries along all subtleties from the underlying steps. In addition, it comes with its own issues, like the way of screening the Coulomb interaction (electron-hole this time), the representation of non-local operators, and alike.\n<\/p><p>DMFT, as a rather young and quickly developing field, naturally experiences a plenitude of \u201cexperimental\u201d implementations, differing in many aspects, with one of the major obstacles being the quite vast amount of combinations of software. Some of the approaches are computationally light, allowing for the construction of model Hamiltonians based on DFT calculations; others are computationally too demanding and can be applied only to simple systems with a few orbitals; most of the methods rely on Green\u2019s functions and self-energies. Diagrammatic extensions beyond standard DMFT methods employ various kinds of vertex functions. Other issues concern the definition of how to handle the Coulomb interactions, where the parameters can either be chosen empirically or can be calculated by first principles.\n<\/p><p>Specific issues of TDDFT concern, in a first place, the distinction between the linear-response regime and the time-propagation of the electronic states in presence of a time-dependent potential. For the former, the xc kernel plays the same role as the xc functional of the GS, raising (besides numerical precision) questions related to accuracy. For the latter, there are various ways and flavors for how to implement the time-evolution operator. Moreover, one can write this operator as a simple exponential or use more elaborate expressions, like the Magnus expansion or the enforced time reversal symmetry. Regarding the exponential, one can employ a Crank-Nicolson expansion, expand in a Taylor series or employ Houston states. Obviously, each of them comes with approximations and additionally, numerical issues.\n<\/p><p>In summary, all the variety captured by the different methods together with the related multitude of computational parameters, needs to be carefully reflected by the metadata schema. This is not only imperative for ensuring reproducible results but also for evaluating the accuracy of methods and commonly used approximations. Besides, further subtleties related to algorithms in the actual implementations in different codes requires the code developers to embark on this challenge.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Density-functional_perturbation_theory\">Density-functional perturbation theory<\/span><\/h3>\n<p>Density-functional perturbation theory is used to obtain physical properties that are related to the (density-)response of the system to external perturbations, like the displacement potential according to lattice vibrations. Also in this case, the calculation relies on a preliminary GS run, inheriting all issues therefrom. After having chosen the type of perturbation, which requires method-dependent definitions and inputs, one needs to choose the order of perturbation: The linear response approach, that is implemented in many codes (e.g., VASP<sup id=\"rdp-ebb-cite_ref-55\" class=\"reference\"><a href=\"#cite_note-55\">[55]<\/a><\/sup>, octopus<sup id=\"rdp-ebb-cite_ref-56\" class=\"reference\"><a href=\"#cite_note-56\">[56]<\/a><\/sup>, CASTEP<sup id=\"rdp-ebb-cite_ref-57\" class=\"reference\"><a href=\"#cite_note-57\">[57]<\/a><\/sup>, FHI-aims<sup id=\"rdp-ebb-cite_ref-58\" class=\"reference\"><a href=\"#cite_note-58\">[58]<\/a><\/sup>, Quantum Espresso<sup id=\"rdp-ebb-cite_ref-:11_59-0\" class=\"reference\"><a href=\"#cite_note-:11-59\">[59]<\/a><\/sup>, ABINIT<sup id=\"rdp-ebb-cite_ref-60\" class=\"reference\"><a href=\"#cite_note-60\">[60]<\/a><\/sup>), allows for the determination of second-order derivatives of the total energy. Among these codes, some of them also allow for the calculation of third-order derivatives, like anharmonic vibrational effects. The variation of the Kohn-Sham orbitals can be obtained from the Sternheimer equation, where different methods are used for deriving its solution (iterative methods, direct linearization, integral formulation).\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Quantum-chemistry_methods\">Quantum-chemistry methods<\/span><\/h3>\n<p>Quantum chemistry offers several methodological hierarchies for calculating quantities related to excited states, such as excitation energies, transition moments, ionization potentials, etc. As high-quality methods are computationally intensive, without additional approximations such methods can be applied to relatively small molecular systems only.\n<\/p><p>Among the standard quantum chemical approaches that can be routinely applied to study excited states of small to medium-sized molecules one can distinguish two large groups, i.e., single-reference and multi-reference methods. The single-reference coupled-cluster (CC) hierarchy for excited states can be formulated in terms of the so-called equation-of-motion approach or time-dependent linear response.\n<\/p><p>Generally, for well-behaving closed-shell molecules, the single-reference quantum-chemical methods can be used as a black box. The formalisms of the MP <i>n<\/i> and CC models are uniquely defined and well documented. The GTO basis sets from the standard basis set families (Pople, Dunning, etc.) are also uniquely defined by the acronym. In practical implementations of these methods, of course various thresholds are usually introduced for prescreening, convergence, etc., but the default values for these thresholds are routinely set very conservatively to guarantee a sub-microhartree precision of the final total energies. Problems might, however, arise due to the iterative character of most of the mentioned techniques, as convergence to a certain state (both in the ground-state and\/or excited-state parts of the calculation) depends on starting guess, preconditioner, possible level shifts, type of convergence accelerator, etc. Unfortunately, the parameters that control the convergence are often not sufficiently well-documented and might not be found in the output. Such problems mainly occur in open-shell cases (note that in the Delta methods at least one of the calculations has to involve an open-shell system). Sometimes a cross-check between several codes becomes essential to detect convergence faults.\n<\/p><p>When it comes to larger systems and approximate CC models are utilized, the importance of the involved tolerances and underlying protocols substantially increases. The approximations can include, for example, the density-fitting technique, local approximation, Laplace transform, and others. Important parameters here are the auxiliary basis set, the fitting metric, the type of fitting (local or non-local), and if local, how the fit domains are determined, etc. The result of the calculations that use local correlation techniques are influenced by the choice of the virtual space and the corresponding truncation protocols and tolerances, the pair hierarchies and the corresponding approximations for the CC terms, etc. For Laplace-transform-based methods, the details of the numerical quadrature matter. Unfortunately, these subtleties are very specific and technical and even if given in the output, can hardly be properly understood and analyzed by non-specialists who are not involved in the development of the related methods. Therefore, the protocols behind the approximations are usually appropriately automatized, and the defaults are chosen such that for certain (benchmarking) sets of systems the deviations in the energy are substantially smaller than the expected error of the method itself (e.g., 0.01\u2009eV for the excitation energy). However, for these methods, additional benchmarks and cross-checks between different programs and approaches would be very important.\n<\/p><p>Multi-reference methods come with quite a number of different flavors, where the most widely used ones are complete active-space self-consistent Field (CASSCF), complete active-space second-order perturbation theory (CASPT2), and multi-reference configuration interaction (MRCI). For difficult cases (e.g., strongly correlated systems), these methods might remain the only option to obtain qualitatively and quantitatively correct result. Unfortunately, compared to the single reference methods, they are computationally expensive and much less of a black box. First of all, for each calculation one has to specify the active space or active spaces. The results may depend dramatically on this choice. Furthermore, the underlying theory is not always uniquely defined by the used acronym. For example, different formulations of CASPT2, MRCI, or other theories are not mutually equivalent depending on whether and how much internal contraction is used and additional approximations that neglect certain terms (e.g., many-electron density matrices) can be implicitly invoked. Besides, certain deficiencies of these methods, such as for example lack of size consistency in MRCI or intruder states in CASPT2, are often corrected by additional (sometimes empirical) schemes, which again are not always fully specified. All this makes the interpretation of deviations in results and cross-checks of these methods less conclusive.\n<\/p><p>To summarize, quantum-chemical methods offer an excellent toolbox for accurate <i>ab initio<\/i> calculations for molecules (especially so for small and medium sized ones). However, severe issues concerning reproducibility and replicability remain, in particular for extended and\/or open-shell systems. This calls for a more detailed specification of the implemented techniques by the developers, for example, a better design of the outputs, and a thorough analysis and documentation of the employed methods and parameters by the users. A possible strategy addressing these issues would be two-fold:\n<\/p>\n<ol><li>Promoting the compliance of the developed software with the FAIR principles for software<sup id=\"rdp-ebb-cite_ref-61\" class=\"reference\"><a href=\"#cite_note-61\">[61]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-62\" class=\"reference\"><a href=\"#cite_note-62\">[62]<\/a><\/sup>, which comprise the recommendation to publish the software in a repository with <a href=\"https:\/\/www.limswiki.org\/index.php\/Version_control\" title=\"Version control\" class=\"wiki-link\" data-key=\"81823f6b21d385f8db9ac0a17b571cc1\">version control<\/a>, have a well-defined license, register the code in a community registry, assign to each version a PID, and enable its proper citation.<sup id=\"rdp-ebb-cite_ref-63\" class=\"reference\"><a href=\"#cite_note-63\">[63]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-64\" class=\"reference\"><a href=\"#cite_note-64\">[64]<\/a><\/sup> Reproducibility can be enhanced by publishing software code under the Free Libre Open-Source Software (FLOSS)<sup id=\"rdp-ebb-cite_ref-65\" class=\"reference\"><a href=\"#cite_note-65\">[65]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-66\" class=\"reference\"><a href=\"#cite_note-66\">[66]<\/a><\/sup> license and by documenting the computation environment (hardware, operating system version, computational framework and libraries that were used, if any); and<\/li>\n<li>Creation of well-defined benchmark datasets.<\/li><\/ol>\n<p>Interoperability among different implementations of (in the intention) the same theoretical model can be assessed by the quantitative comparison over different codes (including different versions thereof) of a set of properties on an agreed-upon set of materials. Such datasets would obviously need to be stored in a FAIR-compliant fashion. A large community-based effort in this direction is being carried on in the DFT community<sup id=\"rdp-ebb-cite_ref-67\" class=\"reference\"><a href=\"#cite_note-67\">[67]<\/a><\/sup>, while in the many-body-theory community, implementation of this idea is just at its beginning.<sup id=\"rdp-ebb-cite_ref-68\" class=\"reference\"><a href=\"#cite_note-68\">[68]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metadata_for_potential-energy_sampling\">Metadata for potential-energy sampling<\/span><\/h2>\n<p>Molecular dynamics (MD) simulations model the time evolution of a system. They employ either <i>ab initio<\/i> calculated forces and energies (aiMD) or molecular mechanics (MM) i.e., forces and energies are defined through empirical atomistic and coarse-grained potentials. The FAIR storing and sharing of their inputs and outputs comes with a number of specific challenges in comparison to single-point electronic-structure calculations.\n<\/p><p>Conceptually, aiMD and MM are similar, as a sequence of system configurations is evolved at discrete time steps. Positions, velocities, and forces at a given time step are used to evaluate positions and velocities, and hence forces in the new configuration, and so on. In practice, MM simulations are orders of magnitude faster than aiMD, enabling much longer time scales and\/or much larger system sizes. Even though the trend towards massive parallelization will enable aiMD in the near future system to handle sizes comparable to today\u2019s standards for MM simulations, the latter will probably always enable larger systems. However, with machine-learned potentials and active learning techniques for their training, aiMD and MM may grow together in the future.\n<\/p><p>In this Section, we focus on challenges more specific to MM simulations, having in mind large length scales, long time scales, and complex phase-space-exploration algorithms and workflows. They can be summarized as follows:\n<\/p>\n<dl><dd>(i). In many cases, the investigated systems feature thousands of atoms with complex short- and long-range order and disorder, e.g., describing microstructural evolution such as crack propagation. This requires large, complex simulation cells with a range of chemical species to be correctly described and categorized.<\/dd><\/dl>\n<dl><dd>(ii). Force-fields exist in a wide variety of flavors that require proper classification. On top of that, they allow for granular fine-tuning of the interactions, even for individual atoms. Faithfully representing complex force fields thus requires to also capture the chemical-bonding topology that is often needed to define the actual interactions.<\/dd><\/dl>\n<dl><dd>(iii). The large length and long time scales presently come together with a multitude of simulation protocols, which use specific boundary conditions, thermostats, constraints, integrators, etc. The various approaches enable the computations of additional observables to be computed as statistical averages or correlations. Representing these properties implies the need to efficiently store and access large volumes of data, e.g., trajectories, including positions, and possibly also velocities and forces, for each atom at each time step.<\/dd><\/dl>\n<p>For the purpose of illustration, we start by identifying some typical use cases, then describe what is currently implemented in the NOMAD infrastructure and what is missing. The examples we adopt fall into two classes: (i) high-throughput systems that are individually simple (1,000\u201310,000 particles) where the value of sharing comes from the ability to run analysis across many variants of, e.g., chemical composition or force field; (ii) sporadic simulations of very large systems or very long time scales which cannot readily be repeated by other researchers and thus are individually valuable to share. Examples of the first class, could be MD simulations in the NVT ensemble for liquid butane or bulk silicon, using well-defined standard force fields (e.g., CHARMM or Stillinger-Weber). Quantities of interest are typically computed during MD simulations (e.g., liquid densities). For flexibility, full trajectory files should also be stored but some important observables might be worth precomputing (e.g., radial distribution functions). The second class could include multi-billion atom MD simulations of dislocation formation<sup id=\"rdp-ebb-cite_ref-69\" class=\"reference\"><a href=\"#cite_note-69\">[69]<\/a><\/sup> or solidification<sup id=\"rdp-ebb-cite_ref-70\" class=\"reference\"><a href=\"#cite_note-70\">[70]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-71\" class=\"reference\"><a href=\"#cite_note-71\">[71]<\/a><\/sup> or very long time-scale simulations of protein folding<sup id=\"rdp-ebb-cite_ref-72\" class=\"reference\"><a href=\"#cite_note-72\">[72]<\/a><\/sup> For more complex use cases, the current infrastructure as discussed in Section \u201cTowards FAIR metadata schemas for computational materials science\u201d is not yet sufficient. The challenges to be addressed are the need for support for (i) complex, heterogeneous, possibly multi-resolution systems; (ii) custom force fields; (iii) advanced sampling; (iv) classes of sampling besides MD (e.g., Monte Carlo, global structure prediction\/search); and (iv) larger simulations (i.e., need for sparsification of the stored data with minimal loss of information).\n<\/p><p>Complex systems include heterogeneous systems, e.g., adsorbate and surfaces, interfaces, solute (macro)molecules in solvent fluids, and multi-resolution systems, i.e., systems that are described at different granularity. The representation of complex systems requires a hierarchy of structural components, from atoms, through moieties, molecules, and larger (super)structures. Annotating such complexity will require human intervention as well as algorithms for automatically recognizing the structural elements (see, e.g., Leitherer <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-73\" class=\"reference\"><a href=\"#cite_note-73\">[73]<\/a><\/sup>).\n<\/p><p>Annotation of force fields into publicly accessible databases has been pioneered by OpenKIM<sup id=\"rdp-ebb-cite_ref-:9_40-1\" class=\"reference\"><a href=\"#cite_note-:9-40\">[40]<\/a><\/sup> in materials science and MoSDeF<sup id=\"rdp-ebb-cite_ref-74\" class=\"reference\"><a href=\"#cite_note-74\">[74]<\/a><\/sup> for soft matter. However, many simulations are performed with customized force fields. The field is already being augmented and will likely be further supported by ML force fields. So far, the great majority of ML force fields are used only in the publication where they are defined. The reusability-oriented annotation of force fields, including ML ones, require also establishing a criterion for comparing them. Comparisons can be carried out by means of standardized benchmark datasets, with a well-defined set of properties. Differences among predicted properties can establish a metric for the similarity of the force fields.\n<\/p><p>Advanced sampling techniques (e.g., metadynamics<sup id=\"rdp-ebb-cite_ref-75\" class=\"reference\"><a href=\"#cite_note-75\">[75]<\/a><\/sup>, umbrella sampling<sup id=\"rdp-ebb-cite_ref-76\" class=\"reference\"><a href=\"#cite_note-76\">[76]<\/a><\/sup>, replica exchange<sup id=\"rdp-ebb-cite_ref-77\" class=\"reference\"><a href=\"#cite_note-77\">[77]<\/a><\/sup>, transition-path sampling<sup id=\"rdp-ebb-cite_ref-78\" class=\"reference\"><a href=\"#cite_note-78\">[78]<\/a><\/sup>, and forward-flux<sup id=\"rdp-ebb-cite_ref-79\" class=\"reference\"><a href=\"#cite_note-79\">[79]<\/a><\/sup> sampling) are typically supported by libraries such as PLUMED<sup id=\"rdp-ebb-cite_ref-80\" class=\"reference\"><a href=\"#cite_note-80\">[80]<\/a><\/sup> and OpenPathSampling.<sup id=\"rdp-ebb-cite_ref-81\" class=\"reference\"><a href=\"#cite_note-81\">[81]<\/a><\/sup> These libraries are used as plugins to codes where classical-force-field-based (e.g. GROMACS<sup id=\"rdp-ebb-cite_ref-82\" class=\"reference\"><a href=\"#cite_note-82\">[82]<\/a><\/sup>, DL_POLY<sup id=\"rdp-ebb-cite_ref-83\" class=\"reference\"><a href=\"#cite_note-83\">[83]<\/a><\/sup>, LAMMPS<sup id=\"rdp-ebb-cite_ref-84\" class=\"reference\"><a href=\"#cite_note-84\">[84]<\/a><\/sup>) or <i>ab initio<\/i> (e.g., CP2K<sup id=\"rdp-ebb-cite_ref-85\" class=\"reference\"><a href=\"#cite_note-85\">[85]<\/a><\/sup> and Quantum Espresso<sup id=\"rdp-ebb-cite_ref-:11_59-1\" class=\"reference\"><a href=\"#cite_note-:11-59\">[59]<\/a><\/sup>) MD, or both (e.g., i-Pi<sup id=\"rdp-ebb-cite_ref-86\" class=\"reference\"><a href=\"#cite_note-86\">[86]<\/a><\/sup>), are performed. The input and output of these plugins will serve as the basis for the metadata related to these sampling techniques. In this regard, it would also be interesting to connect materials science databases, such as the NOMAD Repository and Archive<sup id=\"rdp-ebb-cite_ref-:6_31-1\" class=\"reference\"><a href=\"#cite_note-:6-31\">[31]<\/a><\/sup> or Materials Cloud Archive<sup id=\"rdp-ebb-cite_ref-:5_29-1\" class=\"reference\"><a href=\"#cite_note-:5-29\">[29]<\/a><\/sup> to the PLUMED-NEST<sup id=\"rdp-ebb-cite_ref-87\" class=\"reference\"><a href=\"#cite_note-87\">[87]<\/a><\/sup>, the public repository of the PLUMED consortium<sup id=\"rdp-ebb-cite_ref-88\" class=\"reference\"><a href=\"#cite_note-88\">[88]<\/a><\/sup>, for example by allowing for automatic uploading of PLUMED input files to the PLUMED-NEST when uploading to the data repositories.\n<\/p><p>For long time- and large length-scale simulations, several questions arise: How should we deal with these simulations, where the extensive amount of data produced by MD simulations becomes overwhelmingly large to systematically store and share? Can we afford to store and share all of it? If the storage is limited or data retrieval is unpractically slow, how can we identify the significant and crucial part of the simulation to store it in a reduced form? Keeping the whole data locally and sharing the metadata with only the important parts of the simulations would be a viable alternative, assuming the different servers have enough redundancy. Standard analysis techniques such as similarity analysis and monitoring dynamics can also be used to identify the changes in structure and dynamics to store only the significant frames or specific regions in MD simulations (e.g., some QM\/MM models uses large MM buffer-atom regions that may not be stored entirely). Furthermore, on the one hand the cost\/benefit of storing versus running a new simulation must be weighed. On the other hand, researchers may soon face increased requirements from funding agencies to store their data for a number of years, in which case the present endeavor offers a convenient implementation. We note ongoing algorithmic developments on compression algorithms for trajectories; see, for example, the work of Brehm and Thomas.<sup id=\"rdp-ebb-cite_ref-89\" class=\"reference\"><a href=\"#cite_note-89\">[89]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metadata_for_computational_workflows\">Metadata for computational workflows<\/span><\/h2>\n<p>A computational workflow represents the coordinated execution of repeatable (computational) steps while accounting for dependencies and concurrency of tasks. In other words, a workflow can be thought as a script, a wrapper code that manages the scheduling of other codes, by controlling what should run in parallel, what sequentially and\/or iteratively. This definition can be extended to workflows in experimental materials science or hybrid computational-experimental investigations, but, consistently with the previous sections, we limit the discussion to computational aspects only.\n<\/p><p>Once shared, workflows become useful building blocks that can be combined or modified for developing new ones. Furthermore, FAIR data can be reused as part of workflows completely unrelated to the workflows with which they were generated. An obvious example is AI-based data analytics, which can entail complex workflows involving data originally created for different purposes. During the last decade, the interest in workflow development has grown considerably in the scientific community<sup id=\"rdp-ebb-cite_ref-90\" class=\"reference\"><a href=\"#cite_note-90\">[90]<\/a><\/sup>, and various multi-purpose engines for managing calculation workflows have been developed, including AFLOW<sup id=\"rdp-ebb-cite_ref-:4_28-1\" class=\"reference\"><a href=\"#cite_note-:4-28\">[28]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-91\" class=\"reference\"><a href=\"#cite_note-91\">[91]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-92\" class=\"reference\"><a href=\"#cite_note-92\">[92]<\/a><\/sup>, AiiDA<sup id=\"rdp-ebb-cite_ref-:7_36-1\" class=\"reference\"><a href=\"#cite_note-:7-36\">[36]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-93\" class=\"reference\"><a href=\"#cite_note-93\">[93]<\/a><\/sup>, ASE<sup id=\"rdp-ebb-cite_ref-:8_39-1\" class=\"reference\"><a href=\"#cite_note-:8-39\">[39]<\/a><\/sup>, and Fireworks.<sup id=\"rdp-ebb-cite_ref-94\" class=\"reference\"><a href=\"#cite_note-94\">[94]<\/a><\/sup> Using these infrastructures, a number of workflows have been used for scientific purposes, like convergence studies<sup id=\"rdp-ebb-cite_ref-95\" class=\"reference\"><a href=\"#cite_note-95\">[95]<\/a><\/sup>, equations of state (e.g., AFLOW Automatic Gibbs Library<sup id=\"rdp-ebb-cite_ref-96\" class=\"reference\"><a href=\"#cite_note-96\">[96]<\/a><\/sup> and the AiiDA common workflows ACWF<sup id=\"rdp-ebb-cite_ref-97\" class=\"reference\"><a href=\"#cite_note-97\">[97]<\/a><\/sup>), phonons<sup id=\"rdp-ebb-cite_ref-98\" class=\"reference\"><a href=\"#cite_note-98\">[98]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-99\" class=\"reference\"><a href=\"#cite_note-99\">[99]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-100\" class=\"reference\"><a href=\"#cite_note-100\">[100]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-101\" class=\"reference\"><a href=\"#cite_note-101\">[101]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-102\" class=\"reference\"><a href=\"#cite_note-102\">[102]<\/a><\/sup>, elastic properties (e.g., the elastic-properties library for Inorganic Crystalline Compounds of the Materials Project<sup id=\"rdp-ebb-cite_ref-103\" class=\"reference\"><a href=\"#cite_note-103\">[103]<\/a><\/sup>, AFLOW Automatic Elasticity Library, AEL<sup id=\"rdp-ebb-cite_ref-104\" class=\"reference\"><a href=\"#cite_note-104\">[104]<\/a><\/sup>, ElaStic<sup id=\"rdp-ebb-cite_ref-105\" class=\"reference\"><a href=\"#cite_note-105\">[105]<\/a><\/sup>), anharmonic properties (e.g., the Anharmonic Phonon Library, APL<sup id=\"rdp-ebb-cite_ref-106\" class=\"reference\"><a href=\"#cite_note-106\">[106]<\/a><\/sup>, AFLOW Automatic Anharmonic Phonon Library, AAPL<sup id=\"rdp-ebb-cite_ref-107\" class=\"reference\"><a href=\"#cite_note-107\">[107]<\/a><\/sup>), high-throughput in the compositional space (e.g., AFLOW Partial Occupation, POCC<sup id=\"rdp-ebb-cite_ref-108\" class=\"reference\"><a href=\"#cite_note-108\">[108]<\/a><\/sup>), charge transport (e.g., organic semiconductors<sup id=\"rdp-ebb-cite_ref-109\" class=\"reference\"><a href=\"#cite_note-109\">[109]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-110\" class=\"reference\"><a href=\"#cite_note-110\">[110]<\/a><\/sup>), of covalent organic frameworks (COFs) for gas storage applications<sup id=\"rdp-ebb-cite_ref-111\" class=\"reference\"><a href=\"#cite_note-111\">[111]<\/a><\/sup>, of spin-dynamics simulations<sup id=\"rdp-ebb-cite_ref-112\" class=\"reference\"><a href=\"#cite_note-112\">[112]<\/a><\/sup>, high-throughput automated extraction of tight-binding Hamiltionians via Wannier functions<sup id=\"rdp-ebb-cite_ref-113\" class=\"reference\"><a href=\"#cite_note-113\">[113]<\/a><\/sup>, and high-throughput on-surface chemistry.<sup id=\"rdp-ebb-cite_ref-114\" class=\"reference\"><a href=\"#cite_note-114\">[114]<\/a><\/sup>\n<\/p><p>There are two types of metadata associated to workflows. Thinking of a workflow as a code to be run, the first type of metadata characterizes the code itself. The second type is the annotation of a run of a workflow, i.e., its inputs and outputs. This type of metadata has been already described in the Section \u201cTowards FAIR metadata schemas for computational materials science,\u201d together with a schematic list of possible workflow classes. It is important to realize that the inputs and outputs of the elementary-mode runs of the atomistic codes that are invoked in a workflow run are complemented by the inputs and outputs of the overarching workflows. A simple example: In an equation-of-state type of workflow, the energy and volume per unit cell of each single configuration that is part of the workflow is the output of the elementary run of the code, while the energy-vs-volume equation of state, e.g., fit to the Birch-Murnagham model, is an output of the workflow.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"File_formats\">File formats<\/span><\/h2>\n<p>On an abstract level, a metadata schema is independent from its representation in computer memory, on a hard drive, or on just a piece of paper. But on a practical level, all data and metadata need to be managed, i.e., stored, indexed, accessed, shared, deleted, archived, etc. File formats used in the community address different requirement and intended use cases. Some file formats privilege human readability (e.g., XML, JSON, YAML) but are not very storage-efficient, while others are binary and overall optimized for efficient searches, but require interpreters to be understood by a person (e.g., HDF5<sup id=\"rdp-ebb-cite_ref-115\" class=\"reference\"><a href=\"#cite_note-115\">[115]<\/a><\/sup>). There are a few use-cases and data properties in the domain of computational materials science that are worth mentioning. First, such data are very heterogeneous and contain many simple properties (e.g., the name of a used code, or a list of considered atoms) that are mixed with properties in the form of large vectors, matrices, or tensors (e.g., the density of states or wave functions). The number of different properties requires hierarchical organization (e.g., with XML, JSON, YAML, or HDF5). It is desirable that many properties are easily human readable (e.g., to quickly verify the sanity of a piece of data), on the other hand large matrices should be stored as efficiently as possible for archiving, retrieving, and searching purposes. Second, there are use cases where random (non-sequential) access of individual properties is desirable (e.g., return all band structures from a set of DFT calculations). Third, computational material science (meta)data need to be archived (efficient storage, prevention of corruption, backups, etc.) on one side, but they also need to be shared via APIs, e.g., for search queries. This requires to transform (meta)data from one representation in one file format (e.g., BagIt and HDF5) to another representation in a different format (e.g., JSON or XML).\n<\/p><p>These use cases and data properties lead to several conclusions. Even on a technical level, (meta)data need to be handled independently of the file format. Pieces of information have to be managed in different formats, and we need to be able to transform from one representation into another. If many different resources (files, databases, etc.) are used to store (meta)data from a logically conjoined dataset, references to these resources qualify to become an important piece of metadata itself. We propose to use an abstract interface (e.g., implemented as a <a href=\"https:\/\/www.limswiki.org\/index.php\/Python_(programming_language)\" title=\"Python (programming language)\" class=\"wiki-link\" data-key=\"ef6905a29cbb75d3c71e6bdf6e2915dd\">Python<\/a> library) based on an abstract schema. This interface allows to manage (meta)data independent of the actual representation used underneath. Various implementations of such an abstract interface can then realize storage in various file formats and access to databases.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metadata_schemas_for_experimental_materials_science\">Metadata schemas for experimental materials science<\/span><\/h2>\n<p>In contrast to computational materials science, in experimental materials science the atomic structure and composition is only approximately known. Several techniques are used to collect data that may be more or less directly interpreted in terms of the atomic and\/or electronic structure of the material. In cases where the structure of the material is already known, careful characterization of properties helps to establish valuable relationships between structure and properties which, in turn, may help to refine theoretical models of these structure-properties links. The inherent uncertainty in every measurement process causes the precision with which data can be reproduced to be lower, in most cases, than in theoretical\/computational materials science. These uncertainties are present even in a well-characterized experimental setup, i.e., when a comprehensive set of metadata is used. In many cases it is not even the focus of an experiment to produce the most perfectly characterized data, but to invest just enough effort to address the specific question that drives the experiment.\n<\/p><p>The information available about the material whose properties are to be measured is also much less complete than in the computational world, where often the position of every atom is known. However, while physical measurements may be limited in their precision, the accuracy with which a physically observable quantity is obtained is by definition of being physically observable much higher than in computational materials science, where the accuracy of the obtained physical quantity may depend strongly on the validity of approximations being applied.\n<\/p><p>The uncertainty in retrieving structure-property relationships in computational materials science, which depends on the suitability of the applied theoretical model and its computational implementation, translates in the realm of experiments to an uncertainty in the atomic structure of the object that is being characterized and generally also some uncertainty in the measurement process itself. The metadata necessary to reproduce a given experimental data set must thus include detailed information about the material and its history together with all the parameters which are required to describe the state of the instrument used for the characterization. In most cases, both classes of metadata, i.e., those describing the material and those describing the instrument are going to be incomplete. While, for example, the full history of temperature, air pressure, humidity, and other relevant environmental parameters are not commonly tracked for the complete lifetime of a material (counter-examples exist, e.g., in pharmaceutical research), also information about the state of the instrument is not generally as comprehensive as it should ideally be (e.g., parameters are not recorded, or are not properly controlled, such as hysteresis effects in devices involving magnetic fields, or many mechanical setups).\n<\/p><p>To overcome part of the uncertainty in the data, one needs to collect as many metadata about the material and its history, as possible, including those that one has no immediate use for at the moment, but might potentially need in the future. Since most of the research equipment being used for characterization tasks is commercial instrumentation, collecting this metadata in an (ideally) fully automated fashion requires the manufacturer\u2019s support. In many cases the formats in which scientific data are provided by these instruments is proprietary. Even if all the data to describe the instrument\u2019s condition of operation are stored, large parts of them may get lost when using the vendor\u2019s software to export the data to other formats; mostly because the \u201cstandard format\u201d does not foresee storing vendor- and instrument-specific metadata. It is however worth mentioning here that the CIF dictionaries (see the Section \u201cTowards FAIR metadata schemas for computational materials science\u201d) already contain (meta)data names to describe instrumentation, sample history, and standard uncertainties in both measured and computed values. As a useful addition, the CIF framework provides tools for implementing quality criteria, which can be used for evaluating the trustworthiness of data objects. In this respect, the community has been developing with CIF a powerful tool onto which a FAIR representation of at least structural data can be built.\n<\/p><p>At large research infrastructures like synchrotrons and neutron-scattering facilities, where a significant fraction of instruments is custom built, and data are often shared with external partners, standards for file formats and metadata structures are being agreed upon, a prominent one being the NeXus standard. NeXus<sup id=\"rdp-ebb-cite_ref-116\" class=\"reference\"><a href=\"#cite_note-116\">[116]<\/a><\/sup> defines hierarchies and rules on how metadata should be described and allows compliant storage using HDF5. Experimental research communities can profit from these activities and provide NeXus-format application definitions which describe necessary metadata that should be stored in a dataset, along with definitions for some optional metadata. This common file format for scientific data is slowly beginning to spread to other communities. Having a standard file format for different types of scientific data seems to be an important step forward towards FAIR data management, since it severely reduces the threshold to share data across communities. Note that NeXus provides a glossary and connected ontology which helps in machine interpretability, and so in reusability.\n<\/p><p>While standard file formats are of very high value in making data findable and accessible, due to common use of keywords to describe a given parameter, they also make them more interoperable, since the barrier for reading the data is lowered. However, making experimental data truly reproducible requires in many cases more metadata to be collected. Only if the uncertainty with which data can be reproduced is well understood, they may also be fully reusable. As discussed in the previous paragraph, part of these metadata must be provided by manufacturers of commercially available components of the experimental setup. Often this just requires more exhaustive data export functions and\/or proper, i.e. versioned descriptions, for all of the instrument-state-describing metadata which are being collected during the experiment. Additionally, it may be necessary to equip home-built <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> equipment with additional sensors and functionalities for logging their signals.\n<\/p><p>Even with added sensors and automated logging of all accessible metadata, in many cases, it is also necessary to compile and complete the record of metadata describing the current and past states of the sample that is being characterized by manually adding information and\/or combining data from different sources. Tools for doing this in a machine-readable fashion are <a href=\"https:\/\/www.limswiki.org\/index.php\/Electronic_laboratory_notebook\" title=\"Electronic laboratory notebook\" class=\"wiki-link\" data-key=\"a9fbbd5e0807980106763fab31f1e72f\">electronic laboratory notebooks<\/a> (ELNs) and\/or <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory_information_management_system\" title=\"Laboratory information management system\" class=\"wiki-link\" data-key=\"8ff56a51d34c9b1806fcebdcde634d00\">laboratory information management systems<\/a> (LIMS). Many such systems are already available<sup id=\"rdp-ebb-cite_ref-117\" class=\"reference\"><a href=\"#cite_note-117\">[117]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-118\" class=\"reference\"><a href=\"#cite_note-118\">[118]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-119\" class=\"reference\"><a href=\"#cite_note-119\">[119]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-120\" class=\"reference\"><a href=\"#cite_note-120\">[120]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-121\" class=\"reference\"><a href=\"#cite_note-121\">[121]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-122\" class=\"reference\"><a href=\"#cite_note-122\">[122]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-123\" class=\"reference\"><a href=\"#cite_note-123\">[123]<\/a><\/sup>, including open-source solutions that combine features of both ELN and LIMS into one software. Server-client solutions that do not require a specific client, but may be accessed through any web browser, have the advantage that information may be accessed and edited from any electronic device capable of interacting with the server. Such ease of access, combined with the establishment of rules and practices of holistic metadata recording about sample conditions and experimental workflows will also help to increase the reproducibility, and thus with that the reusability of experimental data. The easier the use of such a system is, and the more apparent it makes the benefits of the availability of FAIR experimental data, the faster it will be adopted by the scientific community.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Outlook_on_ontologies_in_materials_science\">Outlook on ontologies in materials science<\/span><\/h2>\n<p>In data science, an ontology is a formal representation of the knowledge of a community about a domain of interest, for a purpose. As ontologies are currently less common in basic materials science than in other fields of science, let us explain these terms:\n<\/p>\n<ul><li><b>Formal representation<\/b> means that: (1) the ontology is a representation, hence it is a simplification, or a model, of the target domain, and (2) the attribute formal communicates that the ontological terms and relationships between them must have a deterministic and unambiguous meaning. Furthermore, formal representation implies that the mechanism to specify the ontology must have a degree of logical processing capability, e.g., inference and reasoning should be possible. Crucially, the attribute formal refers to the fact that an ontology should be machine-readable.<\/li>\n<li><b>Knowledge<\/b> is the accumulated set of facts, pieces of information, and skills of the experts of the domain of interest that are represented in the ontology.<\/li>\n<li>The <b>community<\/b> influences the ontology in two aspects; (1) it implies an overall agreement between a group of experts\/users of the knowledge as represented in the ontology and (2) it indicates that the ontology is not meant to convince a whole population nor wants to be universal. However, if it fulfills the requirements of bigger communities, the ontology will be adopted by broader audiences and will find its way towards standardization.<\/li>\n<li>The <b>domain of interest<\/b> is the common ground for the community, e.g., a scientific discipline, a subordinate of discipline, or a market section. It is often used as a boundary to limit the scope of the ontology. It is a proper tool to detect overlapping concepts, modularizing ontologies, and identifying extension and integration points.<\/li>\n<li>The <b>purpose<\/b> conveys the goals of the ontology designers so that the ontology is applicable to a set of situations. In many ontology design efforts, the purpose is formulated by a collection of so-called competency questions. These questions and the answers provided to them identify the intent and viewpoint of the designers and set the potential applications of the ontology.<\/li><\/ul>\n<p>In practice, ontologies are often mapped onto, and visualized by means of, directed acyclic graphs, where an edge is one of a well-defined set of relationships (e.g., <tt>is a<\/tt>, <tt>has property<\/tt>) and each node is a class, i.e., a concept which is specific to the domain of interest. Each node-edge-node triple is interpreted as a subject-predicate-object expression. For instance, in an ontology for catalysis, one could find the triples: \u201ccatalytic material\u2013has property\u2013selectivity\u201d, and \u201cselectivity\u2013refers to\u2013reaction product.\u201d Ontologies address the interoperability requirement of FAIR data. By means of a machine-readable formal structure, which can be connected to an existing or <i>ex novo<\/i> derived metadata schema of a database, ontologies allow queries over various databases, even from different fields.\n<\/p><p>The literature already contains several ontologies created for representing (aspects of) materials science. The most ambitious project is probably EMMO<sup id=\"rdp-ebb-cite_ref-:10_42-1\" class=\"reference\"><a href=\"#cite_note-:10-42\">[42]<\/a><\/sup>, which stands for both the European Materials Modelling Ontology, developed within the European Materials Modelling Council (EMMC), and Elemental Multiperspective Material Ontology. EMMO is designed to provide a formal way to describe the fundamental concepts of physics, chemistry, and materials science, to provide an all-purposes common ground for describing materials, models, and data that can be adapted by all sub-domains of condensed-matter physics and chemistry. The development of EMMO includes also a handful of domain ontologies that assume EMMO as top-level ontology.<sup id=\"rdp-ebb-cite_ref-124\" class=\"reference\"><a href=\"#cite_note-124\">[124]<\/a><\/sup> These domain ontologies span subjects such as \u201catomistic and electronic modeling,\u201d \u201ccrystallography,\u201d \u201cmechanical testing,\u201d and more. So far, however, EMMO and its domain ontologies have not been connected to existing databases.\n<\/p><p>Other domain-specific ontologies, not related to EMMO, have been developed. For instance, the Materials Ontology<sup id=\"rdp-ebb-cite_ref-125\" class=\"reference\"><a href=\"#cite_note-125\">[125]<\/a><\/sup> was developed for the exchange of data among databases for thermal properties, the MatOnto ontology<sup id=\"rdp-ebb-cite_ref-126\" class=\"reference\"><a href=\"#cite_note-126\">[126]<\/a><\/sup> addresses oxygen ion conducting materials in the fuel cell domain, the NanoParticle Ontology<sup id=\"rdp-ebb-cite_ref-127\" class=\"reference\"><a href=\"#cite_note-127\">[127]<\/a><\/sup> maps properties of nanoparticles with the purpose of designing new nanoparticles with given properties, while the eNanoMapper ontology<sup id=\"rdp-ebb-cite_ref-128\" class=\"reference\"><a href=\"#cite_note-128\">[128]<\/a><\/sup> focuses on assessing risks related to the use of nanomaterials from the engineering point of view.\n<\/p><p>An application-oriented ontology is Materials Design Ontology (MDO)<sup id=\"rdp-ebb-cite_ref-129\" class=\"reference\"><a href=\"#cite_note-129\">[129]<\/a><\/sup>, developed under the guidance of the schemas from OPTIMADE<sup id=\"rdp-ebb-cite_ref-:3_41-2\" class=\"reference\"><a href=\"#cite_note-:3-41\">[41]<\/a><\/sup>, and therefore aimed at dealing with data from the various materials-data repositories (e.g., AFLOW, Materials Project, etc.) on a common ground. In practice, MDO connects calculated structures with the calculated properties and the physical model adopted to calculate structures and properties. Furthermore, the provenance for each calculation, is also represented in MDO. It has recently been extended using text mining on thousands of journal articles.<sup id=\"rdp-ebb-cite_ref-:12_130-0\" class=\"reference\"><a href=\"#cite_note-:12-130\">[130]<\/a><\/sup>\n<\/p><p>The hierarchical structure of NOMAD Metainfo already includes ontological aspects. More specifically, it represents atomistic calculations, as performed by all the parsed simulation codes. NOMAD Metainfo contains already five types of relations between the metadata: (a) <tt>is subclass of<\/tt>, (b) <tt>is part of<\/tt>, (c) <tt>has reference<\/tt>, (d) <tt>has dimension<\/tt>, and (e) <tt>has category<\/tt>. The latter relation, <tt>has category<\/tt>, is introduced to describe conceptually physical quantities (e.g., \u201cenergy,\u201d \u201cvelocity,\u201d etc.). Recently<sup id=\"rdp-ebb-cite_ref-131\" class=\"reference\"><a href=\"#cite_note-131\">[131]<\/a><\/sup>, this basic NOMAD Metainfo ontology has been expanded to include a representation of operations among arrays (in an ontology, any mathematical concept needs to be represented in order to properly operate with the physical quantities in complex queries). This extension allowed for the introduction of the notion of \u201csimilarity\u201d relationship that has been applied as a proof of concept to the calculated electronic density of states, as stored in the NOMAD Archive, in order to identify materials with similar electronic structures.<sup id=\"rdp-ebb-cite_ref-132\" class=\"reference\"><a href=\"#cite_note-132\">[132]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-133\" class=\"reference\"><a href=\"#cite_note-133\">[133]<\/a><\/sup>\n<\/p><p>Achievements and challenges of ontologies for materials science were discussed at the first \"Workshop on Ontologies for Materials-Databases Interoperability\" (OMDI2021), held in Link\u00f6ping and virtually on October 2021. The workshop was organized by the OPTIMADE consortium<sup id=\"rdp-ebb-cite_ref-:3_41-3\" class=\"reference\"><a href=\"#cite_note-:3-41\">[41]<\/a><\/sup> and funded by Psi-k.<sup id=\"rdp-ebb-cite_ref-134\" class=\"reference\"><a href=\"#cite_note-134\">[134]<\/a><\/sup> The main outcomes of the workshop were: a) the strengthening of the idea that the development of useful ontologies need a community effort; b) they need to build from the data, i.e., their development needs to be driven by existing data and the aim of connecting data from different sources; and c) tools for text mining need to be developed<sup id=\"rdp-ebb-cite_ref-:12_130-1\" class=\"reference\"><a href=\"#cite_note-:12-130\">[130]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-135\" class=\"reference\"><a href=\"#cite_note-135\">[135]<\/a><\/sup>, in order to map into ontologies the enormous wealth buried in decades of scientific literature. Another important outcome of the workshop was the utterance of an insightful warning: \"is the field proposing solutions (i.e, the existing ontologies) still in search of a problem?\" In other words, the community realizes that it needs specific questions to be addressed (the competence questions) in order to shape the ontologies and then propose demonstrative applications of such ontologies to answer the agreed upon questions.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Discussion_and_outlook\">Discussion and outlook<\/span><\/h2>\n<p>Defining\u2014as completely as possible\u2014a pool of metadata for all the methods and computed quantities described above, is crucial for processing, storing, and providing FAIR materials science data. A key challenge is the mapping into a metadata schema of the full set of input parameters, including those hidden into the specific codes, and all the available output. This practice will facilitate reproducibility, benchmarking, and peer-review processes.\n<\/p><p>In particular, we emphasize the importance of developing a hierarchical and modular metadata schema in order to represent the complexity of materials science data and allow for access, reproduction, and repurposing of data, from single-structure calculations to complex workflows. Furthermore, the modularity of the schema enables its extensibility, which is vital for the long-term maintenance of the metadata infrastructure.\n<\/p><p>As an example, we presented the current status of the NOMAD metadata schema, which was designed to comply with the FAIR principles. By means of existing parsers that map a growing set of atomistic-simulation code packages into the hierarchical, modular NOMAD metadata schema, the NOMAD infrastructure already provides the community with a FAIR storage of materials science data. The challenges of fully covering the ground-state electronic calculations, and extending the schema to excited states, dynamical simulations, and complex workflows were examined in detail. By means of a community effort, all aspects of the different subfields, and all the practical details of each specific implementation can be mapped on the NOMAD metadata schema. Finally, we discussed the challenges of the \"FAIR-ification\" of experimental materials science metadata and the creation of ontologies for materials science. Ontologies will unlock the interoperability of the FAIR data by enabling the access and reuse of data across materials science areas, but also outside materials science.\n<\/p><p>As a perspective, probably the biggest benefit of meeting the interoperability challenge will be to allow for routine comparisons between computational evaluations and experimental observations. In fact, it is not trivial to associate a given computed quantity, derived through a given theoretical modelling, to an experimentally measured quantity. This association requires the judgment of a domain expert and a full characterization of both compared quantities. This is where a formalized ontology, applied to FAIR data in materials science, could automatize the process.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>AI<\/b>: artificial intelligence<\/li>\n<li><b>aiMD<\/b>: <i>ab initio<\/i> calculated forces and energies<\/li>\n<li><b>API<\/b>: application programming interface<\/li>\n<li><b>BSE<\/b>: Bethe-Salpeter equation<\/li>\n<li><b>CASPT2<\/b>: complete active-space second-order perturbation theory<\/li>\n<li><b>CASSCF<\/b>: complete active-space self-consistent Field<\/li>\n<li><b>CC<\/b>: coupled-cluster<\/li>\n<li><b>CML<\/b>: Chemical Markup Language<\/li>\n<li><b>CIF<\/b>: Crystallographic Information File; Crystallographic Information Framework<\/li>\n<li><b>DFT<\/b>: density-functional theory<\/li>\n<li><b>DFTP<\/b>: density-functional perturbation theory<\/li>\n<li><b>DMFT<\/b>: dynamical mean-field theory<\/li>\n<li><b>DOI<\/b>: digital object identifier<\/li>\n<li><b>ELN<\/b>: electronic laboratory notebook<\/li>\n<li><b>EMMC<\/b>: European Materials Modelling Council<\/li>\n<li><b>EMMO<\/b>: Elemental Multiperspective Material Ontology<\/li>\n<li><b>ESCDF<\/b>: Electronic Structure Common Data Format<\/li>\n<li><b>ETSF<\/b>: European Theoretical Spectroscopy Facility<\/li>\n<li><b>FAIR<\/b>: findable, accessible, interoperable, reusable<\/li>\n<li><b>FLOSS<\/b>: Free Libre Open-Source Software<\/li>\n<li><b>GS<\/b>: general state<\/li>\n<li><i><b>GW<\/b><\/i>: Green's function <i>G<\/i> and dynamically screened Coulomb interaction <i>W<\/i><\/li>\n<li><b>IUCr<\/b>: International Union of Crystallography<\/li>\n<li><b>JCAMP-DX<\/b>: Joint Committee on Atomic and Molecular Physical Data - Data Exchange<\/li>\n<li><b>JUMBO<\/b>: Java Universal Molecular\/Markup Browser for Objects<\/li>\n<li><b>LIMS<\/b>: laboratory information management system<\/li>\n<li><b>MBPT<\/b>: many-body perturbation theory<\/li>\n<li><b>MD<\/b>: molecular dynamics<\/li>\n<li><b>MDR<\/b> metadata registry<\/li>\n<li><b>ML<\/b>: machine learning<\/li>\n<li><b>MM<\/b>: molecular mechanics<\/li>\n<li><b>MRCI<\/b>: multireference configuration interaction<\/li>\n<li><b>NOMAD<\/b>: Novel-Materials Discovery Laboratory<\/li>\n<li><b>OPTIMADE<\/b>: Open Databases Integration for Materials Design<\/li>\n<li><b>PID<\/b>: persistent identifier<\/li>\n<li><b>TDDFT<\/b>: time-dependent DFT<\/li>\n<li><b>XML<\/b>: Extensible Markup Language<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>We would like to thank all the participants to the workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop,\u201d as listed at META2019, who have contributed with questions and comments to ideas discussed in this paper. The organizers of and participants to the OMDI2021 workshop (see <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/liu.se\/en\/research\/omdi2021\" target=\"_blank\">https:\/\/liu.se\/en\/research\/omdi2021<\/a> for the full list of names) are acknowledged for insightful discussions that inspired some of the concepts discussed in the Section \u201cOutlook on ontologies in materials science.\u201d This work received funding by the European Union\u2019s Horizon 2020 research and innovation program under the grant agreement N\u00b0 951786 (NOMAD CoE) and by the German Research Foundation (DFG) through the NFDI consortium FAIRmat, project 460197019. We acknowledge support by the Open Access Publication Fund of Humboldt-Universit\u00e4t zu Berlin. SVL\u2019s contribution was supported by RSCF grant 21-13-00419.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>The present paper is inspired by and based on the minutes of the workgroups discussions at the workshop \u201cShared Metadata and Data Formats for Big-Data Driven Materials Science: A NOMAD\u2013FAIR-DI Workshop.\u201d Here, we report the composition of the original work groups, which reflect into the main contributions to the paper\u2019s sections. Metadata, metadata schemas and ontologies (Introduction, Section \u201cTowards FAIR metadata schemas for computational materials science\u201d and section \u201cOutlook on ontologies in materials science\u201d): Patrick Lambrix, Javad Chamanara, Carsten Baldauf, Tatyana Sheveleva, Benjamin Regler, Alvin Noe Ladines, Christoph T. Koch, Christof W\u00f6ll, Stefano Cozzini, Astrid Schneidewind, Maja-Olivia Himmer; Ground-state calculations (Section \u201cMetadata for ground-state electronic-structure calculations\u201d): Micael Oliveira, Sergey Levchenko; Perturbative and excited-states calculations (Section \u201cMetadata for external-perturbation and excited-state electronic-structure calculations\u201d): Claudia Draxl, Pasquale Pavone, Denis Usvyat; Potential-energy sampling (Section \u201cMetadata for potential-energy sampling\u201d): James Kermode, Tristan Bereau, Christian Carbogno, Omar Valsson, Markus K\u00fchbach, Chuanxun Su, Ron Miller, Berk Onat; Workflows (Section \u201cMetadata for Computational Workflows\u201d): Stefano Curtarolo, Shyam Dwaraknath, Adam Michalchuk, Giovanni Pizzi, Gian-Marco Rignanese, J\u00f6rg Schaarschmidt; Data formats (Section \u201cFile Formats\u201d): \u00c1d\u00e1m Fekete, Markus Scheidgen; Metadata for experiments (Section \u201cMetadata schemas for experimental materials science\u201d): Christoph T. Koch, Sandor Brockhauser, Astrid Schneidewind. Luca M. Ghiringhelli and Matthias Scheffler coordinated the formation of the work groups, participated to the discussions in several work groups, and prepared the first draft of the paper. All authors contributed to the final version of the paper.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>Open access funding enabled and organized by Projekt DEAL.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>The authors declare no competing interests.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rickman, J.M.; Lookman, T.; Kalinin, S.V. 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David; Gra\u017eulis, Saulius; Hester, James R.; McMahon, Brian; Spadaccini, Nick; Westbrook, John D. <i>et al.<\/i> (1 February 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715021871\" target=\"_blank\">\"Specification of the Crystallographic Information File format, version 2.0\"<\/a>. <i>Journal of Applied Crystallography<\/i> <b>49<\/b> (1): 277\u2013284. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1600576715021871\" target=\"_blank\">10.1107\/S1600576715021871<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1600-5767\" target=\"_blank\">1600-5767<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715021871\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715021871<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Specification+of+the+Crystallographic+Information+File+format%2C+version+2.0&rft.jtitle=Journal+of+Applied+Crystallography&rft.aulast=Bernstein&rft.aufirst=Herbert+J.&rft.au=Bernstein%2C%26%2332%3BHerbert+J.&rft.au=Bollinger%2C%26%2332%3BJohn+C.&rft.au=Brown%2C%26%2332%3BI.+David&rft.au=Gra%C5%BEulis%2C%26%2332%3BSaulius&rft.au=Hester%2C%26%2332%3BJames+R.&rft.au=McMahon%2C%26%2332%3BBrian&rft.au=Spadaccini%2C%26%2332%3BNick&rft.au=Westbrook%2C%26%2332%3BJohn+D.&rft.au=Westrip%2C%26%2332%3BSimon+P.&rft.date=1+February+2016&rft.volume=49&rft.issue=1&rft.pages=277%E2%80%93284&rft_id=info:doi\/10.1107%2FS1600576715021871&rft.issn=1600-5767&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS1600576715021871&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-7\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-7\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Hall, S.R.; Spadaccini, N.; Brown, I.D. et al. 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Chester, England: International Union of Crystallography. pp. 25\u201336. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2F97809553602060000107\" target=\"_blank\">10.1107\/97809553602060000107<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4020-5411-2<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/it.iucr.org\/Ga\/\" target=\"_blank\">https:\/\/it.iucr.org\/Ga\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Formal+specification+of+the+crystallographic+information+file.+Version+1.1+specification&rft.atitle=International+Tables+for+Crystallography%3A+Definition+and+exchange+of+crystallographic+data&rft.aulast=Hall%2C+S.R.%3B+Spadaccini%2C+N.%3B+Brown%2C+I.D.+et+al.&rft.au=Hall%2C+S.R.%3B+Spadaccini%2C+N.%3B+Brown%2C+I.D.+et+al.&rft.date=2006&rft.series=International+Tables+for+Crystallography&rft.volume=G&rft.pages=pp.%26nbsp%3B25%E2%80%9336&rft.edition=1&rft.place=Chester%2C+England&rft.pub=International+Union+of+Crystallography&rft_id=info:doi\/10.1107%2F97809553602060000107&rft.isbn=978-1-4020-5411-2&rft_id=https%3A%2F%2Fit.iucr.org%2FGa%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFWestbrookYangFengBerman2006\">Westbrook, J. D.; Yang, H.; Feng, Z.; Berman, H. M. (1 October 2006), Hall, S. 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Retrieved 2023-11-07<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+use+of+mmCIF+architecture+for+PDB+data+management&rft.jtitle=International+Tables+for+Crystallography&rft.aulast=Westbrook&rft.aufirst=J.+D.&rft.au=Westbrook%2C%26%2332%3BJ.+D.&rft.au=Yang%2C%26%2332%3BH.&rft.au=Feng%2C%26%2332%3BZ.&rft.au=Berman%2C%26%2332%3BH.+M.&rft.date=1+October+2006&rft.volume=G&rft.pages=539%E2%80%93543&rft.edition=1&rft.place=Chester%2C+England&rft.pub=International+Union+of+Crystallography&rft_id=info:doi\/10.1107%2F97809553602060000755&rft.isbn=978-1-4020-5411-2&rft_id=https%3A%2F%2Fxrpp.iucr.org%2Fcgi-bin%2Fitr%3Furl_ver%3DZ39.88-2003%26rft_dat%3Dwhat%253Dchapter%2526volid%253DGa%2526chnumo%253D5o5%2526chvers%253Dv0001&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">El Mendili, Yassine; Vaitkus, Antanas; Merkys, Andrius; Gra\u017eulis, Saulius; Chateigner, Daniel; Mathevet, Fabrice; Gascoin, St\u00e9phanie; Petit, Sebastien <i>et al.<\/i> (1 June 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576719004229\" target=\"_blank\">\"Raman Open Database: first interconnected Raman\u2013X-ray diffraction open-access resource for material identification\"<\/a>. <i>Journal of Applied Crystallography<\/i> <b>52<\/b> (3): 618\u2013625. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1600576719004229\" target=\"_blank\">10.1107\/S1600576719004229<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1600-5767\" target=\"_blank\">1600-5767<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6557180\/\" target=\"_blank\">PMC6557180<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31236093\" target=\"_blank\">31236093<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576719004229\" target=\"_blank\">http:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576719004229<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Raman+Open+Database%3A+first+interconnected+Raman%E2%80%93X-ray+diffraction+open-access+resource+for+material+identification&rft.jtitle=Journal+of+Applied+Crystallography&rft.aulast=El+Mendili&rft.aufirst=Yassine&rft.au=El+Mendili%2C%26%2332%3BYassine&rft.au=Vaitkus%2C%26%2332%3BAntanas&rft.au=Merkys%2C%26%2332%3BAndrius&rft.au=Gra%C5%BEulis%2C%26%2332%3BSaulius&rft.au=Chateigner%2C%26%2332%3BDaniel&rft.au=Mathevet%2C%26%2332%3BFabrice&rft.au=Gascoin%2C%26%2332%3BSt%C3%A9phanie&rft.au=Petit%2C%26%2332%3BSebastien&rft.au=Bardeau%2C%26%2332%3BJean-Fran%C3%A7ois&rft.date=1+June+2019&rft.volume=52&rft.issue=3&rft.pages=618%E2%80%93625&rft_id=info:doi\/10.1107%2FS1600576719004229&rft.issn=1600-5767&rft_id=info:pmc\/PMC6557180&rft_id=info:pmid\/31236093&rft_id=http%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS1600576719004229&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McMahon, B. 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David; McMahon, Brian (1 June 2002). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108768102003464\" target=\"_blank\">\"CIF: the computer language of crystallography\"<\/a>. <i>Acta Crystallographica Section B Structural Science<\/i> <b>58<\/b> (3): 317\u2013324. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS0108768102003464\" target=\"_blank\">10.1107\/S0108768102003464<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0108-7681\" target=\"_blank\">0108-7681<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108768102003464\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108768102003464<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CIF%3A+the+computer+language+of+crystallography&rft.jtitle=Acta+Crystallographica+Section+B+Structural+Science&rft.aulast=Brown&rft.aufirst=I.+David&rft.au=Brown%2C%26%2332%3BI.+David&rft.au=McMahon%2C%26%2332%3BBrian&rft.date=1+June+2002&rft.volume=58&rft.issue=3&rft.pages=317%E2%80%93324&rft_id=info:doi\/10.1107%2FS0108768102003464&rft.issn=0108-7681&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS0108768102003464&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.xml-cml.org\/\" target=\"_blank\">\"Chemical Markup Language\"<\/a>. 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Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Chemical+Markup+Language&rft.atitle=&rft.date=2012&rft.pub=CMLC&rft_id=https%3A%2F%2Fwww.xml-cml.org%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Murray-Rust, Peter; Townsend, Joe A; Adams, Sam E; Phadungsukanan, Weerapong; Thomas, Jens (1 December 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-43\" target=\"_blank\">\"The semantics of Chemical Markup Language (CML): dictionaries and conventions\"<\/a> (in en). <i>Journal of Cheminformatics<\/i> <b>3<\/b> (1): 43. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2F1758-2946-3-43\" target=\"_blank\">10.1186\/1758-2946-3-43<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1758-2946\" target=\"_blank\">1758-2946<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3206453\/\" target=\"_blank\">PMC3206453<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/21999509\" target=\"_blank\">21999509<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-43\" target=\"_blank\">https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-43<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+semantics+of+Chemical+Markup+Language+%28CML%29%3A+dictionaries+and+conventions&rft.jtitle=Journal+of+Cheminformatics&rft.aulast=Murray-Rust&rft.aufirst=Peter&rft.au=Murray-Rust%2C%26%2332%3BPeter&rft.au=Townsend%2C%26%2332%3BJoe+A&rft.au=Adams%2C%26%2332%3BSam+E&rft.au=Phadungsukanan%2C%26%2332%3BWeerapong&rft.au=Thomas%2C%26%2332%3BJens&rft.date=1+December+2011&rft.volume=3&rft.issue=1&rft.pages=43&rft_id=info:doi\/10.1186%2F1758-2946-3-43&rft.issn=1758-2946&rft_id=info:pmc\/PMC3206453&rft_id=info:pmid\/21999509&rft_id=https%3A%2F%2Fjcheminf.biomedcentral.com%2Farticles%2F10.1186%2F1758-2946-3-43&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-14\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_14-0\">14.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_14-1\">14.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Murray-Rust, Peter; Rzepa, Henry S (1 December 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-44\" target=\"_blank\">\"CML: Evolution and design\"<\/a> (in en). <i>Journal of Cheminformatics<\/i> <b>3<\/b> (1): 44. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2F1758-2946-3-44\" target=\"_blank\">10.1186\/1758-2946-3-44<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1758-2946\" target=\"_blank\">1758-2946<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3205047\/\" target=\"_blank\">PMC3205047<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/21999549\" target=\"_blank\">21999549<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-44\" target=\"_blank\">https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-44<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CML%3A+Evolution+and+design&rft.jtitle=Journal+of+Cheminformatics&rft.aulast=Murray-Rust&rft.aufirst=Peter&rft.au=Murray-Rust%2C%26%2332%3BPeter&rft.au=Rzepa%2C%26%2332%3BHenry+S&rft.date=1+December+2011&rft.volume=3&rft.issue=1&rft.pages=44&rft_id=info:doi\/10.1186%2F1758-2946-3-44&rft.issn=1758-2946&rft_id=info:pmc\/PMC3205047&rft_id=info:pmid\/21999549&rft_id=https%3A%2F%2Fjcheminf.biomedcentral.com%2Farticles%2F10.1186%2F1758-2946-3-44&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.xml-cml.org\/schema\/schema3\/\" target=\"_blank\">\"Schema 3\"<\/a>. <i>Chemical Markup Language<\/i>. 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Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Gaussian+-+Expanding+the+limits+of+computational+chemistry&rft.atitle=&rft.date=2023&rft.pub=Gaussian%2C+Inc.&rft_id=https%3A%2F%2Fgaussian.com%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Valiev, M.; Bylaska, E.J.; Govind, N.; Kowalski, K.; Straatsma, T.P.; Van Dam, H.J.J.; Wang, D.; Nieplocha, J. <i>et al.<\/i> (1 September 2010). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465510001438\" target=\"_blank\">\"NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>181<\/b> (9): 1477\u20131489. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2010.04.018\" target=\"_blank\">10.1016\/j.cpc.2010.04.018<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465510001438\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465510001438<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NWChem%3A+A+comprehensive+and+scalable+open-source+solution+for+large+scale+molecular+simulations&rft.jtitle=Computer+Physics+Communications&rft.aulast=Valiev&rft.aufirst=M.&rft.au=Valiev%2C%26%2332%3BM.&rft.au=Bylaska%2C%26%2332%3BE.J.&rft.au=Govind%2C%26%2332%3BN.&rft.au=Kowalski%2C%26%2332%3BK.&rft.au=Straatsma%2C%26%2332%3BT.P.&rft.au=Van+Dam%2C%26%2332%3BH.J.J.&rft.au=Wang%2C%26%2332%3BD.&rft.au=Nieplocha%2C%26%2332%3BJ.&rft.au=Apra%2C%26%2332%3BE.&rft.date=1+September+2010&rft.volume=181&rft.issue=9&rft.pages=1477%E2%80%931489&rft_id=info:doi\/10.1016%2Fj.cpc.2010.04.018&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465510001438&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.xml-cml.org\/examples\/schema3\/compchem\/\" target=\"_blank\">\"Examples for Schema 3 CompChem\"<\/a>. <i>Chemical Markup Language<\/i>. CMLC. 2012<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.xml-cml.org\/examples\/schema3\/compchem\/\" target=\"_blank\">https:\/\/www.xml-cml.org\/examples\/schema3\/compchem\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Examples+for+Schema+3+CompChem&rft.atitle=Chemical+Markup+Language&rft.date=2012&rft.pub=CMLC&rft_id=https%3A%2F%2Fwww.xml-cml.org%2Fexamples%2Fschema3%2Fcompchem%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McDonald, Robert S.; Wilks, Paul A. (1 January 1988). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702884428734\" target=\"_blank\">\"JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form\"<\/a> (in en). <i>Applied Spectroscopy<\/i> <b>42<\/b> (1): 151\u2013162. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1366%2F0003702884428734\" target=\"_blank\">10.1366\/0003702884428734<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0003-7028\" target=\"_blank\">0003-7028<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702884428734\" target=\"_blank\">http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702884428734<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=JCAMP-DX%3A+A+Standard+Form+for+Exchange+of+Infrared+Spectra+in+Computer+Readable+Form&rft.jtitle=Applied+Spectroscopy&rft.aulast=McDonald&rft.aufirst=Robert+S.&rft.au=McDonald%2C%26%2332%3BRobert+S.&rft.au=Wilks%2C%26%2332%3BPaul+A.&rft.date=1+January+1988&rft.volume=42&rft.issue=1&rft.pages=151%E2%80%93162&rft_id=info:doi\/10.1366%2F0003702884428734&rft.issn=0003-7028&rft_id=http%3A%2F%2Fjournals.sagepub.com%2Fdoi%2F10.1366%2F0003702884428734&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Davies, Antony N.; 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Hillig, Heinrich; Davies, Antony N.; Linscheid, Michael (1 December 1994). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702944027840\" target=\"_blank\">\"JCAMP-DX for Mass Spectrometry\"<\/a> (in en). <i>Applied Spectroscopy<\/i> <b>48<\/b> (12): 1545\u20131552. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1366%2F0003702944027840\" target=\"_blank\">10.1366\/0003702944027840<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0003-7028\" target=\"_blank\">0003-7028<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702944027840\" target=\"_blank\">http:\/\/journals.sagepub.com\/doi\/10.1366\/0003702944027840<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=JCAMP-DX+for+Mass+Spectrometry&rft.jtitle=Applied+Spectroscopy&rft.aulast=Lampen&rft.aufirst=Peter&rft.au=Lampen%2C%26%2332%3BPeter&rft.au=Hillig%2C%26%2332%3BHeinrich&rft.au=Davies%2C%26%2332%3BAntony+N.&rft.au=Linscheid%2C%26%2332%3BMichael&rft.date=1+December+1994&rft.volume=48&rft.issue=12&rft.pages=1545%E2%80%931552&rft_id=info:doi\/10.1366%2F0003702944027840&rft.issn=0003-7028&rft_id=http%3A%2F%2Fjournals.sagepub.com%2Fdoi%2F10.1366%2F0003702944027840&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Baumbach, J\u00f6rg Ingo; Davies, Antony N.; Lampen, Peter; Schmidt, Hartwig (1 January 2001). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.degruyter.com\/document\/doi\/10.1351\/pac200173111765\/html\" target=\"_blank\">\"JCAMP-DX. A standard format for the exchange of ion mobility spectrometry data (IUPAC Recommendations 2001)\"<\/a> (in en). <i>Pure and Applied Chemistry<\/i> <b>73<\/b> (11): 1765\u20131782. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1351%2Fpac200173111765\" target=\"_blank\">10.1351\/pac200173111765<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1365-3075\" target=\"_blank\">1365-3075<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.degruyter.com\/document\/doi\/10.1351\/pac200173111765\/html\" target=\"_blank\">https:\/\/www.degruyter.com\/document\/doi\/10.1351\/pac200173111765\/html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=JCAMP-DX.+A+standard+format+for+the+exchange+of+ion+mobility+spectrometry+data+%28IUPAC+Recommendations+2001%29&rft.jtitle=Pure+and+Applied+Chemistry&rft.aulast=Baumbach&rft.aufirst=J%C3%B6rg+Ingo&rft.au=Baumbach%2C%26%2332%3BJ%C3%B6rg+Ingo&rft.au=Davies%2C%26%2332%3BAntony+N.&rft.au=Lampen%2C%26%2332%3BPeter&rft.au=Schmidt%2C%26%2332%3BHartwig&rft.date=1+January+2001&rft.volume=73&rft.issue=11&rft.pages=1765%E2%80%931782&rft_id=info:doi\/10.1351%2Fpac200173111765&rft.issn=1365-3075&rft_id=https%3A%2F%2Fwww.degruyter.com%2Fdocument%2Fdoi%2F10.1351%2Fpac200173111765%2Fhtml&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gonze, X.; Almbladh, C.-O.; Cucca, A.; Caliste, D.; Freysoldt, C.; Marques, M.A.L.; Olevano, V.; Pouillon, Y. <i>et al.<\/i> (1 October 2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377\" target=\"_blank\">\"Specification of an extensible and portable file format for electronic structure and crystallographic data\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>43<\/b> (4): 1056\u20131065. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2008.02.023\" target=\"_blank\">10.1016\/j.commatsci.2008.02.023<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Specification+of+an+extensible+and+portable+file+format+for+electronic+structure+and+crystallographic+data&rft.jtitle=Computational+Materials+Science&rft.aulast=Gonze&rft.aufirst=X.&rft.au=Gonze%2C%26%2332%3BX.&rft.au=Almbladh%2C%26%2332%3BC.-O.&rft.au=Cucca%2C%26%2332%3BA.&rft.au=Caliste%2C%26%2332%3BD.&rft.au=Freysoldt%2C%26%2332%3BC.&rft.au=Marques%2C%26%2332%3BM.A.L.&rft.au=Olevano%2C%26%2332%3BV.&rft.au=Pouillon%2C%26%2332%3BY.&rft.au=Verstraete%2C%26%2332%3BM.J.&rft.date=1+October+2008&rft.volume=43&rft.issue=4&rft.pages=1056%E2%80%931065&rft_id=info:doi\/10.1016%2Fj.commatsci.2008.02.023&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025608001377&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gonze, X.; Almbladh, C.-O.; Cucca, A.; Caliste, D.; Freysoldt, C.; Marques, M.A.L.; Olevano, V.; Pouillon, Y. <i>et al.<\/i> (1 October 2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377\" target=\"_blank\">\"Specification of an extensible and portable file format for electronic structure and crystallographic data\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>43<\/b> (4): 1056\u20131065. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2008.02.023\" target=\"_blank\">10.1016\/j.commatsci.2008.02.023<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025608001377<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Specification+of+an+extensible+and+portable+file+format+for+electronic+structure+and+crystallographic+data&rft.jtitle=Computational+Materials+Science&rft.aulast=Gonze&rft.aufirst=X.&rft.au=Gonze%2C%26%2332%3BX.&rft.au=Almbladh%2C%26%2332%3BC.-O.&rft.au=Cucca%2C%26%2332%3BA.&rft.au=Caliste%2C%26%2332%3BD.&rft.au=Freysoldt%2C%26%2332%3BC.&rft.au=Marques%2C%26%2332%3BM.A.L.&rft.au=Olevano%2C%26%2332%3BV.&rft.au=Pouillon%2C%26%2332%3BY.&rft.au=Verstraete%2C%26%2332%3BM.J.&rft.date=1+October+2008&rft.volume=43&rft.issue=4&rft.pages=1056%E2%80%931065&rft_id=info:doi\/10.1016%2Fj.commatsci.2008.02.023&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025608001377&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Caliste, D.; 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(1 November 2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465508001963\" target=\"_blank\">\"Sharing electronic structure and crystallographic data with ETSF_IO\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>179<\/b> (10): 748\u2013758. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2008.05.007\" target=\"_blank\">10.1016\/j.cpc.2008.05.007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465508001963\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465508001963<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Sharing+electronic+structure+and+crystallographic+data+with+ETSF_IO&rft.jtitle=Computer+Physics+Communications&rft.aulast=Caliste&rft.aufirst=D.&rft.au=Caliste%2C%26%2332%3BD.&rft.au=Pouillon%2C%26%2332%3BY.&rft.au=Verstraete%2C%26%2332%3BM.J.&rft.au=Olevano%2C%26%2332%3BV.&rft.au=Gonze%2C%26%2332%3BX.&rft.date=1+November+2008&rft.volume=179&rft.issue=10&rft.pages=748%E2%80%93758&rft_id=info:doi\/10.1016%2Fj.cpc.2008.05.007&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465508001963&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-26\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_26-0\">26.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_26-1\">26.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_26-2\">26.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ghiringhelli, Luca M.; Carbogno, Christian; Levchenko, Sergey; Mohamed, Fawzi; Huhs, Georg; L\u00fcders, Martin; Oliveira, Micael; Scheffler, Matthias (6 November 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0048-5\" target=\"_blank\">\"Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>3<\/b> (1): 46. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-017-0048-5\" target=\"_blank\">10.1038\/s41524-017-0048-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0048-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-017-0048-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Towards+efficient+data+exchange+and+sharing+for+big-data+driven+materials+science%3A+metadata+and+data+formats&rft.jtitle=npj+Computational+Materials&rft.aulast=Ghiringhelli&rft.aufirst=Luca+M.&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.au=Carbogno%2C%26%2332%3BChristian&rft.au=Levchenko%2C%26%2332%3BSergey&rft.au=Mohamed%2C%26%2332%3BFawzi&rft.au=Huhs%2C%26%2332%3BGeorg&rft.au=L%C3%BCders%2C%26%2332%3BMartin&rft.au=Oliveira%2C%26%2332%3BMicael&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=6+November+2017&rft.volume=3&rft.issue=1&rft.pages=46&rft_id=info:doi\/10.1038%2Fs41524-017-0048-5&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-017-0048-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-27\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Oliveira, Micael J. T.; Papior, Nick; Pouillon, Yann; Blum, Volker; Artacho, Emilio; Caliste, Damien; Corsetti, Fabiano; de Gironcoli, Stefano <i>et al.<\/i> (14 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/153\/2\/024117\/1061500\/The-CECAM-electronic-structure-library-and-the\" target=\"_blank\">\"The CECAM electronic structure library and the modular software development paradigm\"<\/a> (in en). <i>The Journal of Chemical Physics<\/i> <b>153<\/b> (2): 024117. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F5.0012901\" target=\"_blank\">10.1063\/5.0012901<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0021-9606\" target=\"_blank\">0021-9606<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/153\/2\/024117\/1061500\/The-CECAM-electronic-structure-library-and-the\" target=\"_blank\">https:\/\/pubs.aip.org\/jcp\/article\/153\/2\/024117\/1061500\/The-CECAM-electronic-structure-library-and-the<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+CECAM+electronic+structure+library+and+the+modular+software+development+paradigm&rft.jtitle=The+Journal+of+Chemical+Physics&rft.aulast=Oliveira&rft.aufirst=Micael+J.+T.&rft.au=Oliveira%2C%26%2332%3BMicael+J.+T.&rft.au=Papior%2C%26%2332%3BNick&rft.au=Pouillon%2C%26%2332%3BYann&rft.au=Blum%2C%26%2332%3BVolker&rft.au=Artacho%2C%26%2332%3BEmilio&rft.au=Caliste%2C%26%2332%3BDamien&rft.au=Corsetti%2C%26%2332%3BFabiano&rft.au=de+Gironcoli%2C%26%2332%3BStefano&rft.au=Elena%2C%26%2332%3BAlin+M.&rft.date=14+July+2020&rft.volume=153&rft.issue=2&rft.pages=024117&rft_id=info:doi\/10.1063%2F5.0012901&rft.issn=0021-9606&rft_id=https%3A%2F%2Fpubs.aip.org%2Fjcp%2Farticle%2F153%2F2%2F024117%2F1061500%2FThe-CECAM-electronic-structure-library-and-the&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-28\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_28-0\">28.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_28-1\">28.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Curtarolo, Stefano; Setyawan, Wahyu; Wang, Shidong; Xue, Junkai; Yang, Kesong; Taylor, Richard H.; Nelson, Lance J.; Hart, Gus L.W. <i>et al.<\/i> (1 June 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025612000687\" target=\"_blank\">\"AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>58<\/b>: 227\u2013235. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2012.02.002\" target=\"_blank\">10.1016\/j.commatsci.2012.02.002<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025612000687\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025612000687<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=AFLOWLIB.ORG%3A+A+distributed+materials+properties+repository+from+high-throughput+ab+initio+calculations&rft.jtitle=Computational+Materials+Science&rft.aulast=Curtarolo&rft.aufirst=Stefano&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.au=Setyawan%2C%26%2332%3BWahyu&rft.au=Wang%2C%26%2332%3BShidong&rft.au=Xue%2C%26%2332%3BJunkai&rft.au=Yang%2C%26%2332%3BKesong&rft.au=Taylor%2C%26%2332%3BRichard+H.&rft.au=Nelson%2C%26%2332%3BLance+J.&rft.au=Hart%2C%26%2332%3BGus+L.W.&rft.au=Sanvito%2C%26%2332%3BStefano&rft.date=1+June+2012&rft.volume=58&rft.pages=227%E2%80%93235&rft_id=info:doi\/10.1016%2Fj.commatsci.2012.02.002&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025612000687&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-29\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_29-0\">29.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_29-1\">29.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Talirz, Leopold; Kumbhar, Snehal; Passaro, Elsa; Yakutovich, Aliaksandr V.; Granata, Valeria; Gargiulo, Fernando; Borelli, Marco; Uhrin, Martin <i>et al.<\/i> (8 September 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00637-5\" target=\"_blank\">\"Materials Cloud, a platform for open computational science\"<\/a> (in en). <i>Scientific Data<\/i> <b>7<\/b> (1): 299. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41597-020-00637-5\" target=\"_blank\">10.1038\/s41597-020-00637-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7479138\/\" target=\"_blank\">PMC7479138<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32901046\" target=\"_blank\">32901046<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00637-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41597-020-00637-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Materials+Cloud%2C+a+platform+for+open+computational+science&rft.jtitle=Scientific+Data&rft.aulast=Talirz&rft.aufirst=Leopold&rft.au=Talirz%2C%26%2332%3BLeopold&rft.au=Kumbhar%2C%26%2332%3BSnehal&rft.au=Passaro%2C%26%2332%3BElsa&rft.au=Yakutovich%2C%26%2332%3BAliaksandr+V.&rft.au=Granata%2C%26%2332%3BValeria&rft.au=Gargiulo%2C%26%2332%3BFernando&rft.au=Borelli%2C%26%2332%3BMarco&rft.au=Uhrin%2C%26%2332%3BMartin&rft.au=Huber%2C%26%2332%3BSebastiaan+P.&rft.date=8+September+2020&rft.volume=7&rft.issue=1&rft.pages=299&rft_id=info:doi\/10.1038%2Fs41597-020-00637-5&rft.issn=2052-4463&rft_id=info:pmc\/PMC7479138&rft_id=info:pmid\/32901046&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41597-020-00637-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-30\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-30\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy; Chen, Wei; Richards, William Davidson; Dacek, Stephen; Cholia, Shreyas; Gunter, Dan <i>et al.<\/i> (1 July 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/apm\/article\/1\/1\/011002\/119685\/Commentary-The-Materials-Project-A-materials\" target=\"_blank\">\"Commentary: The Materials Project: A materials genome approach to accelerating materials innovation\"<\/a> (in en). <i>APL Materials<\/i> <b>1<\/b> (1): 011002. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F1.4812323\" target=\"_blank\">10.1063\/1.4812323<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2166-532X\" target=\"_blank\">2166-532X<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/apm\/article\/1\/1\/011002\/119685\/Commentary-The-Materials-Project-A-materials\" target=\"_blank\">https:\/\/pubs.aip.org\/apm\/article\/1\/1\/011002\/119685\/Commentary-The-Materials-Project-A-materials<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Commentary%3A+The+Materials+Project%3A+A+materials+genome+approach+to+accelerating+materials+innovation&rft.jtitle=APL+Materials&rft.aulast=Jain&rft.aufirst=Anubhav&rft.au=Jain%2C%26%2332%3BAnubhav&rft.au=Ong%2C%26%2332%3BShyue+Ping&rft.au=Hautier%2C%26%2332%3BGeoffroy&rft.au=Chen%2C%26%2332%3BWei&rft.au=Richards%2C%26%2332%3BWilliam+Davidson&rft.au=Dacek%2C%26%2332%3BStephen&rft.au=Cholia%2C%26%2332%3BShreyas&rft.au=Gunter%2C%26%2332%3BDan&rft.au=Skinner%2C%26%2332%3BDavid&rft.date=1+July+2013&rft.volume=1&rft.issue=1&rft.pages=011002&rft_id=info:doi\/10.1063%2F1.4812323&rft.issn=2166-532X&rft_id=https%3A%2F%2Fpubs.aip.org%2Fapm%2Farticle%2F1%2F1%2F011002%2F119685%2FCommentary-The-Materials-Project-A-materials&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-31\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_31-0\">31.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_31-1\">31.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Draxl, Claudia; Scheffler, Matthias (2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/arxiv.org\/abs\/1805.05039\" target=\"_blank\">\"NOMAD: The FAIR Concept for Big-Data-Driven Materials Science\"<\/a>. <i>arXiv<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.48550%2FARXIV.1805.05039\" target=\"_blank\">10.48550\/ARXIV.1805.05039<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/arxiv.org\/abs\/1805.05039\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1805.05039<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NOMAD%3A+The+FAIR+Concept+for+Big-Data-Driven+Materials+Science&rft.jtitle=arXiv&rft.aulast=Draxl&rft.aufirst=Claudia&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=2018&rft_id=info:doi\/10.48550%2FARXIV.1805.05039&rft_id=https%3A%2F%2Farxiv.org%2Fabs%2F1805.05039&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-32\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-32\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Draxl, Claudia; Scheffler, Matthias (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/2515-7639\/ab13bb\" target=\"_blank\">\"The NOMAD laboratory: from data sharing to artificial intelligence\"<\/a>. <i>Journal of Physics: Materials<\/i> <b>2<\/b> (3): 036001. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F2515-7639%2Fab13bb\" target=\"_blank\">10.1088\/2515-7639\/ab13bb<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2515-7639\" target=\"_blank\">2515-7639<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/2515-7639\/ab13bb\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/2515-7639\/ab13bb<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+NOMAD+laboratory%3A+from+data+sharing+to+artificial+intelligence&rft.jtitle=Journal+of+Physics%3A+Materials&rft.aulast=Draxl&rft.aufirst=Claudia&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=1+July+2019&rft.volume=2&rft.issue=3&rft.pages=036001&rft_id=info:doi\/10.1088%2F2515-7639%2Fab13bb&rft.issn=2515-7639&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F2515-7639%2Fab13bb&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-33\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-33\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFDraxlScheffler2020\">Draxl, Claudia; 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Retrieved 2023-11-07<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Big+Data-Driven+Materials+Science+and+Its+FAIR+Data+Infrastructure&rft.jtitle=Handbook+of+Materials+Modeling&rft.aulast=Draxl&rft.aufirst=Claudia&rft.au=Draxl%2C%26%2332%3BClaudia&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=2020&rft.pages=49%E2%80%9373&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-319-44677-6_104&rft.isbn=978-3-319-44676-9&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-319-44677-6_104&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-34\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-34\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kirklin, Scott; Saal, James E; Meredig, Bryce; Thompson, Alex; Doak, Jeff W; Aykol, Muratahan; R\u00fchl, Stephan; Wolverton, Chris (11 December 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/npjcompumats201510\" target=\"_blank\">\"The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>1<\/b> (1): 15010. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fnpjcompumats.2015.10\" target=\"_blank\">10.1038\/npjcompumats.2015.10<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/npjcompumats201510\" target=\"_blank\">https:\/\/www.nature.com\/articles\/npjcompumats201510<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Open+Quantum+Materials+Database+%28OQMD%29%3A+assessing+the+accuracy+of+DFT+formation+energies&rft.jtitle=npj+Computational+Materials&rft.aulast=Kirklin&rft.aufirst=Scott&rft.au=Kirklin%2C%26%2332%3BScott&rft.au=Saal%2C%26%2332%3BJames+E&rft.au=Meredig%2C%26%2332%3BBryce&rft.au=Thompson%2C%26%2332%3BAlex&rft.au=Doak%2C%26%2332%3BJeff+W&rft.au=Aykol%2C%26%2332%3BMuratahan&rft.au=R%C3%BChl%2C%26%2332%3BStephan&rft.au=Wolverton%2C%26%2332%3BChris&rft.date=11+December+2015&rft.volume=1&rft.issue=1&rft.pages=15010&rft_id=info:doi\/10.1038%2Fnpjcompumats.2015.10&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fnpjcompumats201510&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-35\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-35\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Merkys, Andrius; Mounet, Nicolas; Cepellotti, Andrea; Marzari, Nicola; Gra\u017eulis, Saulius; Pizzi, Giovanni (1 December 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0242-y\" target=\"_blank\">\"A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD\"<\/a> (in en). <i>Journal of Cheminformatics<\/i> <b>9<\/b> (1): 56. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs13321-017-0242-y\" target=\"_blank\">10.1186\/s13321-017-0242-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1758-2946\" target=\"_blank\">1758-2946<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5686034\/\" target=\"_blank\">PMC5686034<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29138947\" target=\"_blank\">29138947<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0242-y\" target=\"_blank\">https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0242-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+posteriori+metadata+from+automated+provenance+tracking%3A+integration+of+AiiDA+and+TCOD&rft.jtitle=Journal+of+Cheminformatics&rft.aulast=Merkys&rft.aufirst=Andrius&rft.au=Merkys%2C%26%2332%3BAndrius&rft.au=Mounet%2C%26%2332%3BNicolas&rft.au=Cepellotti%2C%26%2332%3BAndrea&rft.au=Marzari%2C%26%2332%3BNicola&rft.au=Gra%C5%BEulis%2C%26%2332%3BSaulius&rft.au=Pizzi%2C%26%2332%3BGiovanni&rft.date=1+December+2017&rft.volume=9&rft.issue=1&rft.pages=56&rft_id=info:doi\/10.1186%2Fs13321-017-0242-y&rft.issn=1758-2946&rft_id=info:pmc\/PMC5686034&rft_id=info:pmid\/29138947&rft_id=https%3A%2F%2Fjcheminf.biomedcentral.com%2Farticles%2F10.1186%2Fs13321-017-0242-y&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-36\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_36-0\">36.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_36-1\">36.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pizzi, Giovanni; Cepellotti, Andrea; Sabatini, Riccardo; Marzari, Nicola; Kozinsky, Boris (1 January 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025615005820\" target=\"_blank\">\"AiiDA: automated interactive infrastructure and database for computational science\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>111<\/b>: 218\u2013230. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2015.09.013\" target=\"_blank\">10.1016\/j.commatsci.2015.09.013<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025615005820\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025615005820<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=AiiDA%3A+automated+interactive+infrastructure+and+database+for+computational+science&rft.jtitle=Computational+Materials+Science&rft.aulast=Pizzi&rft.aufirst=Giovanni&rft.au=Pizzi%2C%26%2332%3BGiovanni&rft.au=Cepellotti%2C%26%2332%3BAndrea&rft.au=Sabatini%2C%26%2332%3BRiccardo&rft.au=Marzari%2C%26%2332%3BNicola&rft.au=Kozinsky%2C%26%2332%3BBoris&rft.date=1+January+2016&rft.volume=111&rft.pages=218%E2%80%93230&rft_id=info:doi\/10.1016%2Fj.commatsci.2015.09.013&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025615005820&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-37\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-37\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Huber, Sebastiaan P.; Zoupanos, Spyros; Uhrin, Martin; Talirz, Leopold; Kahle, Leonid; H\u00e4uselmann, Rico; Gresch, Dominik; M\u00fcller, Tiziano <i>et al.<\/i> (8 September 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00638-4\" target=\"_blank\">\"AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance\"<\/a> (in en). <i>Scientific Data<\/i> <b>7<\/b> (1): 300. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41597-020-00638-4\" target=\"_blank\">10.1038\/s41597-020-00638-4<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7479590\/\" target=\"_blank\">PMC7479590<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32901044\" target=\"_blank\">32901044<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41597-020-00638-4\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41597-020-00638-4<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=AiiDA+1.0%2C+a+scalable+computational+infrastructure+for+automated+reproducible+workflows+and+data+provenance&rft.jtitle=Scientific+Data&rft.aulast=Huber&rft.aufirst=Sebastiaan+P.&rft.au=Huber%2C%26%2332%3BSebastiaan+P.&rft.au=Zoupanos%2C%26%2332%3BSpyros&rft.au=Uhrin%2C%26%2332%3BMartin&rft.au=Talirz%2C%26%2332%3BLeopold&rft.au=Kahle%2C%26%2332%3BLeonid&rft.au=H%C3%A4uselmann%2C%26%2332%3BRico&rft.au=Gresch%2C%26%2332%3BDominik&rft.au=M%C3%BCller%2C%26%2332%3BTiziano&rft.au=Yakutovich%2C%26%2332%3BAliaksandr+V.&rft.date=8+September+2020&rft.volume=7&rft.issue=1&rft.pages=300&rft_id=info:doi\/10.1038%2Fs41597-020-00638-4&rft.issn=2052-4463&rft_id=info:pmc\/PMC7479590&rft_id=info:pmid\/32901044&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41597-020-00638-4&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-38\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-38\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Uhrin, Martin; Huber, Sebastiaan P.; Yu, Jusong; Marzari, Nicola; Pizzi, Giovanni (1 February 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025620305772\" target=\"_blank\">\"Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>187<\/b>: 110086. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2020.110086\" target=\"_blank\">10.1016\/j.commatsci.2020.110086<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025620305772\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025620305772<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Workflows+in+AiiDA%3A+Engineering+a+high-throughput%2C+event-based+engine+for+robust+and+modular+computational+workflows&rft.jtitle=Computational+Materials+Science&rft.aulast=Uhrin&rft.aufirst=Martin&rft.au=Uhrin%2C%26%2332%3BMartin&rft.au=Huber%2C%26%2332%3BSebastiaan+P.&rft.au=Yu%2C%26%2332%3BJusong&rft.au=Marzari%2C%26%2332%3BNicola&rft.au=Pizzi%2C%26%2332%3BGiovanni&rft.date=1+February+2021&rft.volume=187&rft.pages=110086&rft_id=info:doi\/10.1016%2Fj.commatsci.2020.110086&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025620305772&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:8-39\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:8_39-0\">39.0<\/a><\/sup> <sup><a href=\"#cite_ref-:8_39-1\">39.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hjorth Larsen, Ask; J\u00f8rgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Du\u0142ak, Marcin; Friis, Jesper; Groves, Michael N <i>et al.<\/i> (12 July 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aa680e\" target=\"_blank\">\"The atomic simulation environment\u2014a Python library for working with atoms\"<\/a>. <i>Journal of Physics: Condensed Matter<\/i> <b>29<\/b> (27): 273002. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F1361-648X%2Faa680e\" target=\"_blank\">10.1088\/1361-648X\/aa680e<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0953-8984\" target=\"_blank\">0953-8984<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aa680e\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aa680e<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+atomic+simulation+environment%E2%80%94a+Python+library+for+working+with+atoms&rft.jtitle=Journal+of+Physics%3A+Condensed+Matter&rft.aulast=Hjorth+Larsen&rft.aufirst=Ask&rft.au=Hjorth+Larsen%2C%26%2332%3BAsk&rft.au=J%C3%B8rgen+Mortensen%2C%26%2332%3BJens&rft.au=Blomqvist%2C%26%2332%3BJakob&rft.au=Castelli%2C%26%2332%3BIvano+E&rft.au=Christensen%2C%26%2332%3BRune&rft.au=Du%C5%82ak%2C%26%2332%3BMarcin&rft.au=Friis%2C%26%2332%3BJesper&rft.au=Groves%2C%26%2332%3BMichael+N&rft.au=Hammer%2C%26%2332%3BBj%C3%B8rk&rft.date=12+July+2017&rft.volume=29&rft.issue=27&rft.pages=273002&rft_id=info:doi\/10.1088%2F1361-648X%2Faa680e&rft.issn=0953-8984&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F1361-648X%2Faa680e&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:9-40\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:9_40-0\">40.0<\/a><\/sup> <sup><a href=\"#cite_ref-:9_40-1\">40.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Tadmor, E. B.; Elliott, R. S.; Sethna, J. P.; Miller, R. E.; Becker, C. A. (1 July 2011). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s11837-011-0102-6\" target=\"_blank\">\"The potential of atomistic simulations and the knowledgebase of interatomic models\"<\/a> (in en). <i>JOM<\/i> <b>63<\/b> (7): 17\u201317. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs11837-011-0102-6\" target=\"_blank\">10.1007\/s11837-011-0102-6<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1047-4838\" target=\"_blank\">1047-4838<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s11837-011-0102-6\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s11837-011-0102-6<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+potential+of+atomistic+simulations+and+the+knowledgebase+of+interatomic+models&rft.jtitle=JOM&rft.aulast=Tadmor&rft.aufirst=E.+B.&rft.au=Tadmor%2C%26%2332%3BE.+B.&rft.au=Elliott%2C%26%2332%3BR.+S.&rft.au=Sethna%2C%26%2332%3BJ.+P.&rft.au=Miller%2C%26%2332%3BR.+E.&rft.au=Becker%2C%26%2332%3BC.+A.&rft.date=1+July+2011&rft.volume=63&rft.issue=7&rft.pages=17%E2%80%9317&rft_id=info:doi\/10.1007%2Fs11837-011-0102-6&rft.issn=1047-4838&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs11837-011-0102-6&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-41\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_41-0\">41.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_41-1\">41.1<\/a><\/sup> <sup><a href=\"#cite_ref-:3_41-2\">41.2<\/a><\/sup> <sup><a href=\"#cite_ref-:3_41-3\">41.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Andersen, Casper W.; Armiento, Rickard; Blokhin, Evgeny; Conduit, Gareth J.; Dwaraknath, Shyam; Evans, Matthew L.; Fekete, \u00c1d\u00e1m; Gopakumar, Abhijith <i>et al.<\/i> (12 August 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41597-021-00974-z\" target=\"_blank\">\"OPTIMADE, an API for exchanging materials data\"<\/a> (in en). <i>Scientific Data<\/i> <b>8<\/b> (1): 217. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41597-021-00974-z\" target=\"_blank\">10.1038\/s41597-021-00974-z<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8361091\/\" target=\"_blank\">PMC8361091<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34385453\" target=\"_blank\">34385453<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41597-021-00974-z\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41597-021-00974-z<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=OPTIMADE%2C+an+API+for+exchanging+materials+data&rft.jtitle=Scientific+Data&rft.aulast=Andersen&rft.aufirst=Casper+W.&rft.au=Andersen%2C%26%2332%3BCasper+W.&rft.au=Armiento%2C%26%2332%3BRickard&rft.au=Blokhin%2C%26%2332%3BEvgeny&rft.au=Conduit%2C%26%2332%3BGareth+J.&rft.au=Dwaraknath%2C%26%2332%3BShyam&rft.au=Evans%2C%26%2332%3BMatthew+L.&rft.au=Fekete%2C%26%2332%3B%C3%81d%C3%A1m&rft.au=Gopakumar%2C%26%2332%3BAbhijith&rft.au=Gra%C5%BEulis%2C%26%2332%3BSaulius&rft.date=12+August+2021&rft.volume=8&rft.issue=1&rft.pages=217&rft_id=info:doi\/10.1038%2Fs41597-021-00974-z&rft.issn=2052-4463&rft_id=info:pmc\/PMC8361091&rft_id=info:pmid\/34385453&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41597-021-00974-z&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:10-42\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:10_42-0\">42.0<\/a><\/sup> <sup><a href=\"#cite_ref-:10_42-1\">42.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/web.archive.org\/web\/20220526170653\/https:\/\/emmc.info\/emmo-info\/\" target=\"_blank\">\"EMMO: an Ontology for Applied Sciences\"<\/a>. 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Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=NOMAD+Artificial+Intelligence+Toolkit&rft.atitle=&rft.date=2023&rft.pub=NOMAD+Laboratory&rft_id=https%3A%2F%2Fnomad-lab.eu%2Faitoolkit&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-49\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-49\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marques, Miguel A.L.; Oliveira, Micael J.T.; Burnus, Tobias (1 October 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465512001750\" target=\"_blank\">\"Libxc: A library of exchange and correlation functionals for density functional theory\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>183<\/b> (10): 2272\u20132281. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2012.05.007\" target=\"_blank\">10.1016\/j.cpc.2012.05.007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465512001750\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465512001750<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Libxc%3A+A+library+of+exchange+and+correlation+functionals+for+density+functional+theory&rft.jtitle=Computer+Physics+Communications&rft.aulast=Marques&rft.aufirst=Miguel+A.L.&rft.au=Marques%2C%26%2332%3BMiguel+A.L.&rft.au=Oliveira%2C%26%2332%3BMicael+J.T.&rft.au=Burnus%2C%26%2332%3BTobias&rft.date=1+October+2012&rft.volume=183&rft.issue=10&rft.pages=2272%E2%80%932281&rft_id=info:doi\/10.1016%2Fj.cpc.2012.05.007&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465512001750&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-50\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-50\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J.T.; Marques, Miguel A.L. (1 January 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711017300602\" target=\"_blank\">\"Recent developments in libxc \u2014 A comprehensive library of functionals for density functional theory\"<\/a> (in en). <i>SoftwareX<\/i> <b>7<\/b>: 1\u20135. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.softx.2017.11.002\" target=\"_blank\">10.1016\/j.softx.2017.11.002<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711017300602\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711017300602<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Recent+developments+in+libxc+%E2%80%94+A+comprehensive+library+of+functionals+for+density+functional+theory&rft.jtitle=SoftwareX&rft.aulast=Lehtola&rft.aufirst=Susi&rft.au=Lehtola%2C%26%2332%3BSusi&rft.au=Steigemann%2C%26%2332%3BConrad&rft.au=Oliveira%2C%26%2332%3BMicael+J.T.&rft.au=Marques%2C%26%2332%3BMiguel+A.L.&rft.date=1+January+2018&rft.volume=7&rft.pages=1%E2%80%935&rft_id=info:doi\/10.1016%2Fj.softx.2017.11.002&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2352711017300602&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-51\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-51\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pritchard, Benjamin P.; Altarawy, Doaa; Didier, Brett; Gibson, Tara D.; Windus, Theresa L. (25 November 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00725\" target=\"_blank\">\"New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community\"<\/a> (in en). <i>Journal of Chemical Information and Modeling<\/i> <b>59<\/b> (11): 4814\u20134820. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.jcim.9b00725\" target=\"_blank\">10.1021\/acs.jcim.9b00725<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1549-9596\" target=\"_blank\">1549-9596<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00725\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00725<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=New+Basis+Set+Exchange%3A+An+Open%2C+Up-to-Date+Resource+for+the+Molecular+Sciences+Community&rft.jtitle=Journal+of+Chemical+Information+and+Modeling&rft.aulast=Pritchard&rft.aufirst=Benjamin+P.&rft.au=Pritchard%2C%26%2332%3BBenjamin+P.&rft.au=Altarawy%2C%26%2332%3BDoaa&rft.au=Didier%2C%26%2332%3BBrett&rft.au=Gibson%2C%26%2332%3BTara+D.&rft.au=Windus%2C%26%2332%3BTheresa+L.&rft.date=25+November+2019&rft.volume=59&rft.issue=11&rft.pages=4814%E2%80%934820&rft_id=info:doi\/10.1021%2Facs.jcim.9b00725&rft.issn=1549-9596&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jcim.9b00725&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-52\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-52\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xinguo; Reuter, Karsten; Scheffler, Matthias (1 November 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002033\" target=\"_blank\">\"Ab initio molecular simulations with numeric atom-centered orbitals\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>180<\/b> (11): 2175\u20132196. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2009.06.022\" target=\"_blank\">10.1016\/j.cpc.2009.06.022<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002033\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002033<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Ab+initio+molecular+simulations+with+numeric+atom-centered+orbitals&rft.jtitle=Computer+Physics+Communications&rft.aulast=Blum&rft.aufirst=Volker&rft.au=Blum%2C%26%2332%3BVolker&rft.au=Gehrke%2C%26%2332%3BRalf&rft.au=Hanke%2C%26%2332%3BFelix&rft.au=Havu%2C%26%2332%3BPaula&rft.au=Havu%2C%26%2332%3BVille&rft.au=Ren%2C%26%2332%3BXinguo&rft.au=Reuter%2C%26%2332%3BKarsten&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=1+November+2009&rft.volume=180&rft.issue=11&rft.pages=2175%E2%80%932196&rft_id=info:doi\/10.1016%2Fj.cpc.2009.06.022&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465509002033&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-53\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-53\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Barca, Giuseppe M. J.; Bertoni, Colleen; Carrington, Laura; Datta, Dipayan; De Silva, Nuwan; Deustua, J. Emiliano; Fedorov, Dmitri G.; Gour, Jeffrey R. <i>et al.<\/i> (21 April 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/152\/15\/154102\/1058751\/Recent-developments-in-the-general-atomic-and\" target=\"_blank\">\"Recent developments in the general atomic and molecular electronic structure system\"<\/a> (in en). <i>The Journal of Chemical Physics<\/i> <b>152<\/b> (15): 154102. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F5.0005188\" target=\"_blank\">10.1063\/5.0005188<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0021-9606\" target=\"_blank\">0021-9606<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/152\/15\/154102\/1058751\/Recent-developments-in-the-general-atomic-and\" target=\"_blank\">https:\/\/pubs.aip.org\/jcp\/article\/152\/15\/154102\/1058751\/Recent-developments-in-the-general-atomic-and<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Recent+developments+in+the+general+atomic+and+molecular+electronic+structure+system&rft.jtitle=The+Journal+of+Chemical+Physics&rft.aulast=Barca&rft.aufirst=Giuseppe+M.+J.&rft.au=Barca%2C%26%2332%3BGiuseppe+M.+J.&rft.au=Bertoni%2C%26%2332%3BColleen&rft.au=Carrington%2C%26%2332%3BLaura&rft.au=Datta%2C%26%2332%3BDipayan&rft.au=De+Silva%2C%26%2332%3BNuwan&rft.au=Deustua%2C%26%2332%3BJ.+Emiliano&rft.au=Fedorov%2C%26%2332%3BDmitri+G.&rft.au=Gour%2C%26%2332%3BJeffrey+R.&rft.au=Gunina%2C%26%2332%3BAnastasia+O.&rft.date=21+April+2020&rft.volume=152&rft.issue=15&rft.pages=154102&rft_id=info:doi\/10.1063%2F5.0005188&rft.issn=0021-9606&rft_id=https%3A%2F%2Fpubs.aip.org%2Fjcp%2Farticle%2F152%2F15%2F154102%2F1058751%2FRecent-developments-in-the-general-atomic-and&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-54\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-54\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Reining, Lucia (1 May 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wcms.1344\" target=\"_blank\">\"The GW approximation: content, successes and limitations\"<\/a> (in en). <i>WIREs Computational Molecular Science<\/i> <b>8<\/b> (3): e1344. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fwcms.1344\" target=\"_blank\">10.1002\/wcms.1344<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1759-0876\" target=\"_blank\">1759-0876<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wcms.1344\" target=\"_blank\">https:\/\/wires.onlinelibrary.wiley.com\/doi\/10.1002\/wcms.1344<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+GW+approximation%3A+content%2C+successes+and+limitations&rft.jtitle=WIREs+Computational+Molecular+Science&rft.aulast=Reining&rft.aufirst=Lucia&rft.au=Reining%2C%26%2332%3BLucia&rft.date=1+May+2018&rft.volume=8&rft.issue=3&rft.pages=e1344&rft_id=info:doi\/10.1002%2Fwcms.1344&rft.issn=1759-0876&rft_id=https%3A%2F%2Fwires.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fwcms.1344&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-55\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-55\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kresse, G.; Furthm\u00fcller, J. (15 October 1996). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.54.11169\" target=\"_blank\">\"Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set\"<\/a> (in en). <i>Physical Review B<\/i> <b>54<\/b> (16): 11169\u201311186. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevB.54.11169\" target=\"_blank\">10.1103\/PhysRevB.54.11169<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0163-1829\" target=\"_blank\">0163-1829<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.54.11169\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.54.11169<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Efficient+iterative+schemes+for+ab+initio+total-energy+calculations+using+a+plane-wave+basis+set&rft.jtitle=Physical+Review+B&rft.aulast=Kresse&rft.aufirst=G.&rft.au=Kresse%2C%26%2332%3BG.&rft.au=Furthm%C3%BCller%2C%26%2332%3BJ.&rft.date=15+October+1996&rft.volume=54&rft.issue=16&rft.pages=11169%E2%80%9311186&rft_id=info:doi\/10.1103%2FPhysRevB.54.11169&rft.issn=0163-1829&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevB.54.11169&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-56\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-56\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marques, M (1 March 2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465502006860\" target=\"_blank\">\"octopus: a first-principles tool for excited electron\u2013ion dynamics\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>151<\/b> (1): 60\u201378. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2FS0010-4655%2802%2900686-0\" target=\"_blank\">10.1016\/S0010-4655(02)00686-0<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465502006860\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465502006860<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=octopus%3A+a+first-principles+tool+for+excited+electron%E2%80%93ion+dynamics&rft.jtitle=Computer+Physics+Communications&rft.aulast=Marques&rft.aufirst=M&rft.au=Marques%2C%26%2332%3BM&rft.date=1+March+2003&rft.volume=151&rft.issue=1&rft.pages=60%E2%80%9378&rft_id=info:doi\/10.1016%2FS0010-4655%2802%2900686-0&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465502006860&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-57\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-57\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Segall, M D; Lindan, Philip J D; Probert, M J; Pickard, C J; Hasnip, P J; Clark, S J; Payne, M C (25 March 2002). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/14\/11\/301\" target=\"_blank\">\"First-principles simulation: ideas, illustrations and the CASTEP code\"<\/a>. <i>Journal of Physics: Condensed Matter<\/i> <b>14<\/b> (11): 2717\u20132744. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F0953-8984%2F14%2F11%2F301\" target=\"_blank\">10.1088\/0953-8984\/14\/11\/301<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0953-8984\" target=\"_blank\">0953-8984<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/14\/11\/301\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/14\/11\/301<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=First-principles+simulation%3A+ideas%2C+illustrations+and+the+CASTEP+code&rft.jtitle=Journal+of+Physics%3A+Condensed+Matter&rft.aulast=Segall&rft.aufirst=M+D&rft.au=Segall%2C%26%2332%3BM+D&rft.au=Lindan%2C%26%2332%3BPhilip+J+D&rft.au=Probert%2C%26%2332%3BM+J&rft.au=Pickard%2C%26%2332%3BC+J&rft.au=Hasnip%2C%26%2332%3BP+J&rft.au=Clark%2C%26%2332%3BS+J&rft.au=Payne%2C%26%2332%3BM+C&rft.date=25+March+2002&rft.volume=14&rft.issue=11&rft.pages=2717%E2%80%932744&rft_id=info:doi\/10.1088%2F0953-8984%2F14%2F11%2F301&rft.issn=0953-8984&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F0953-8984%2F14%2F11%2F301&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-58\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-58\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias (1 June 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465517300437\" target=\"_blank\">\"Lattice dynamics calculations based on density-functional perturbation theory in real space\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>215<\/b>: 26\u201346. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2017.02.001\" target=\"_blank\">10.1016\/j.cpc.2017.02.001<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465517300437\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465517300437<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Lattice+dynamics+calculations+based+on+density-functional+perturbation+theory+in+real+space&rft.jtitle=Computer+Physics+Communications&rft.aulast=Shang&rft.aufirst=Honghui&rft.au=Shang%2C%26%2332%3BHonghui&rft.au=Carbogno%2C%26%2332%3BChristian&rft.au=Rinke%2C%26%2332%3BPatrick&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.date=1+June+2017&rft.volume=215&rft.pages=26%E2%80%9346&rft_id=info:doi\/10.1016%2Fj.cpc.2017.02.001&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465517300437&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:11-59\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:11_59-0\">59.0<\/a><\/sup> <sup><a href=\"#cite_ref-:11_59-1\">59.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Giannozzi, Paolo; 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Condensed Matter: An Institute of Physics Journal<\/i> <b>21<\/b> (39): 395502. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F0953-8984%2F21%2F39%2F395502\" target=\"_blank\">10.1088\/0953-8984\/21\/39\/395502<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1361-648X\" target=\"_blank\">1361-648X<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/21832390\" target=\"_blank\">21832390<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/21832390\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/21832390<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=QUANTUM+ESPRESSO%3A+a+modular+and+open-source+software+project+for+quantum+simulations+of+materials&rft.jtitle=Journal+of+Physics.+Condensed+Matter%3A+An+Institute+of+Physics+Journal&rft.aulast=Giannozzi&rft.aufirst=Paolo&rft.au=Giannozzi%2C%26%2332%3BPaolo&rft.au=Baroni%2C%26%2332%3BStefano&rft.au=Bonini%2C%26%2332%3BNicola&rft.au=Calandra%2C%26%2332%3BMatteo&rft.au=Car%2C%26%2332%3BRoberto&rft.au=Cavazzoni%2C%26%2332%3BCarlo&rft.au=Ceresoli%2C%26%2332%3BDavide&rft.au=Chiarotti%2C%26%2332%3BGuido+L.&rft.au=Cococcioni%2C%26%2332%3BMatteo&rft.date=30+September+2009&rft.volume=21&rft.issue=39&rft.pages=395502&rft_id=info:doi\/10.1088%2F0953-8984%2F21%2F39%2F395502&rft.issn=1361-648X&rft_id=info:pmid\/21832390&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F21832390&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-60\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-60\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gonze, X.; Amadon, B.; Anglade, P.-M.; Beuken, J.-M.; Bottin, F.; Boulanger, P.; Bruneval, F.; Caliste, D. <i>et al.<\/i> (1 December 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002276\" target=\"_blank\">\"ABINIT: First-principles approach to material and nanosystem properties\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>180<\/b> (12): 2582\u20132615. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2009.07.007\" target=\"_blank\">10.1016\/j.cpc.2009.07.007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002276\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465509002276<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=ABINIT%3A+First-principles+approach+to+material+and+nanosystem+properties&rft.jtitle=Computer+Physics+Communications&rft.aulast=Gonze&rft.aufirst=X.&rft.au=Gonze%2C%26%2332%3BX.&rft.au=Amadon%2C%26%2332%3BB.&rft.au=Anglade%2C%26%2332%3BP.-M.&rft.au=Beuken%2C%26%2332%3BJ.-M.&rft.au=Bottin%2C%26%2332%3BF.&rft.au=Boulanger%2C%26%2332%3BP.&rft.au=Bruneval%2C%26%2332%3BF.&rft.au=Caliste%2C%26%2332%3BD.&rft.au=Caracas%2C%26%2332%3BR.&rft.date=1+December+2009&rft.volume=180&rft.issue=12&rft.pages=2582%E2%80%932615&rft_id=info:doi\/10.1016%2Fj.cpc.2009.07.007&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465509002276&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-61\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-61\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lamprecht, Anna-Lena; Garcia, Leyla; Kuzak, Mateusz; Martinez, Carlos; Arcila, Ricardo; Martin Del Pico, Eva; Dominguez Del Angel, Victoria; van de Sandt, Stephanie <i>et al.<\/i> (12 June 2020). 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Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=FLOSS+and+FOSS&rft.atitle=GNU+Operating+System&rft.aulast=Stallman%2C+R.&rft.au=Stallman%2C+R.&rft.date=11+September+2021&rft.pub=Richard+Stallman&rft_id=https%3A%2F%2Fwww.gnu.org%2Fphilosophy%2Ffloss-and-foss.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-67\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-67\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lejaeghere, Kurt; Bihlmayer, Gustav; Bj\u00f6rkman, Torbj\u00f6rn; Blaha, Peter; Bl\u00fcgel, Stefan; Blum, Volker; Caliste, Damien; Castelli, Ivano E. <i>et al.<\/i> (25 March 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.science.org\/doi\/10.1126\/science.aad3000\" target=\"_blank\">\"Reproducibility in density functional theory calculations of solids\"<\/a> (in en). <i>Science<\/i> <b>351<\/b> (6280): aad3000. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1126%2Fscience.aad3000\" target=\"_blank\">10.1126\/science.aad3000<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0036-8075\" target=\"_blank\">0036-8075<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.science.org\/doi\/10.1126\/science.aad3000\" target=\"_blank\">https:\/\/www.science.org\/doi\/10.1126\/science.aad3000<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Reproducibility+in+density+functional+theory+calculations+of+solids&rft.jtitle=Science&rft.aulast=Lejaeghere&rft.aufirst=Kurt&rft.au=Lejaeghere%2C%26%2332%3BKurt&rft.au=Bihlmayer%2C%26%2332%3BGustav&rft.au=Bj%C3%B6rkman%2C%26%2332%3BTorbj%C3%B6rn&rft.au=Blaha%2C%26%2332%3BPeter&rft.au=Bl%C3%BCgel%2C%26%2332%3BStefan&rft.au=Blum%2C%26%2332%3BVolker&rft.au=Caliste%2C%26%2332%3BDamien&rft.au=Castelli%2C%26%2332%3BIvano+E.&rft.au=Clark%2C%26%2332%3BStewart+J.&rft.date=25+March+2016&rft.volume=351&rft.issue=6280&rft.pages=aad3000&rft_id=info:doi\/10.1126%2Fscience.aad3000&rft.issn=0036-8075&rft_id=https%3A%2F%2Fwww.science.org%2Fdoi%2F10.1126%2Fscience.aad3000&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-68\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-68\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sch\u00e4fer, Thomas; Wentzell, Nils; \u0160imkovic, Fedor; He, Yuan-Yao; Hille, Cornelia; Klett, Marcel; Eckhardt, Christian J.; Arzhang, Behnam <i>et al.<\/i> (23 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevX.11.011058\" target=\"_blank\">\"Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model\"<\/a> (in en). <i>Physical Review X<\/i> <b>11<\/b> (1): 011058. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevX.11.011058\" target=\"_blank\">10.1103\/PhysRevX.11.011058<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2160-3308\" target=\"_blank\">2160-3308<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevX.11.011058\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevX.11.011058<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Tracking+the+Footprints+of+Spin+Fluctuations%3A+A+MultiMethod%2C+MultiMessenger+Study+of+the+Two-Dimensional+Hubbard+Model&rft.jtitle=Physical+Review+X&rft.aulast=Sch%C3%A4fer&rft.aufirst=Thomas&rft.au=Sch%C3%A4fer%2C%26%2332%3BThomas&rft.au=Wentzell%2C%26%2332%3BNils&rft.au=%C5%A0imkovic%2C%26%2332%3BFedor&rft.au=He%2C%26%2332%3BYuan-Yao&rft.au=Hille%2C%26%2332%3BCornelia&rft.au=Klett%2C%26%2332%3BMarcel&rft.au=Eckhardt%2C%26%2332%3BChristian+J.&rft.au=Arzhang%2C%26%2332%3BBehnam&rft.au=Harkov%2C%26%2332%3BViktor&rft.date=23+March+2021&rft.volume=11&rft.issue=1&rft.pages=011058&rft_id=info:doi\/10.1103%2FPhysRevX.11.011058&rft.issn=2160-3308&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevX.11.011058&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-69\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-69\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zepeda-Ruiz, Luis A.; Stukowski, Alexander; Oppelstrup, Tomas; Bulatov, Vasily V. (26 October 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/nature23472\" target=\"_blank\">\"Probing the limits of metal plasticity with molecular dynamics simulations\"<\/a> (in en). <i>Nature<\/i> <b>550<\/b> (7677): 492\u2013495. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fnature23472\" target=\"_blank\">10.1038\/nature23472<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0028-0836\" target=\"_blank\">0028-0836<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/nature23472\" target=\"_blank\">https:\/\/www.nature.com\/articles\/nature23472<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Probing+the+limits+of+metal+plasticity+with+molecular+dynamics+simulations&rft.jtitle=Nature&rft.aulast=Zepeda-Ruiz&rft.aufirst=Luis+A.&rft.au=Zepeda-Ruiz%2C%26%2332%3BLuis+A.&rft.au=Stukowski%2C%26%2332%3BAlexander&rft.au=Oppelstrup%2C%26%2332%3BTomas&rft.au=Bulatov%2C%26%2332%3BVasily+V.&rft.date=26+October+2017&rft.volume=550&rft.issue=7677&rft.pages=492%E2%80%93495&rft_id=info:doi\/10.1038%2Fnature23472&rft.issn=0028-0836&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fnature23472&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-70\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-70\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Miyoshi, Eisuke; Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi; Sakane, Shinji; Aoki, Takayuki (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-651X\/ab1e8b\" target=\"_blank\">\"Large-scale phase-field simulation of three-dimensional isotropic grain growth in polycrystalline thin films\"<\/a>. <i>Modelling and Simulation in Materials Science and Engineering<\/i> <b>27<\/b> (5): 054003. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F1361-651X%2Fab1e8b\" target=\"_blank\">10.1088\/1361-651X\/ab1e8b<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0965-0393\" target=\"_blank\">0965-0393<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-651X\/ab1e8b\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/1361-651X\/ab1e8b<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Large-scale+phase-field+simulation+of+three-dimensional+isotropic+grain+growth+in+polycrystalline+thin+films&rft.jtitle=Modelling+and+Simulation+in+Materials+Science+and+Engineering&rft.aulast=Miyoshi&rft.aufirst=Eisuke&rft.au=Miyoshi%2C%26%2332%3BEisuke&rft.au=Takaki%2C%26%2332%3BTomohiro&rft.au=Ohno%2C%26%2332%3BMunekazu&rft.au=Shibuta%2C%26%2332%3BYasushi&rft.au=Sakane%2C%26%2332%3BShinji&rft.au=Aoki%2C%26%2332%3BTakayuki&rft.date=1+July+2019&rft.volume=27&rft.issue=5&rft.pages=054003&rft_id=info:doi\/10.1088%2F1361-651X%2Fab1e8b&rft.issn=0965-0393&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F1361-651X%2Fab1e8b&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-71\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-71\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Piana, Stefano; Klepeis, John L; Shaw, David E (1 February 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157\" target=\"_blank\">\"Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations\"<\/a> (in en). <i>Current Opinion in Structural Biology<\/i> <b>24<\/b>: 98\u2013105. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.sbi.2013.12.006\" target=\"_blank\">10.1016\/j.sbi.2013.12.006<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Assessing+the+accuracy+of+physical+models+used+in+protein-folding+simulations%3A+quantitative+evidence+from+long+molecular+dynamics+simulations&rft.jtitle=Current+Opinion+in+Structural+Biology&rft.aulast=Piana&rft.aufirst=Stefano&rft.au=Piana%2C%26%2332%3BStefano&rft.au=Klepeis%2C%26%2332%3BJohn+L&rft.au=Shaw%2C%26%2332%3BDavid+E&rft.date=1+February+2014&rft.volume=24&rft.pages=98%E2%80%93105&rft_id=info:doi\/10.1016%2Fj.sbi.2013.12.006&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0959440X13002157&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-72\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-72\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Piana, Stefano; Klepeis, John L; Shaw, David E (1 February 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157\" target=\"_blank\">\"Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations\"<\/a> (in en). <i>Current Opinion in Structural Biology<\/i> <b>24<\/b>: 98\u2013105. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.sbi.2013.12.006\" target=\"_blank\">10.1016\/j.sbi.2013.12.006<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X13002157<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Assessing+the+accuracy+of+physical+models+used+in+protein-folding+simulations%3A+quantitative+evidence+from+long+molecular+dynamics+simulations&rft.jtitle=Current+Opinion+in+Structural+Biology&rft.aulast=Piana&rft.aufirst=Stefano&rft.au=Piana%2C%26%2332%3BStefano&rft.au=Klepeis%2C%26%2332%3BJohn+L&rft.au=Shaw%2C%26%2332%3BDavid+E&rft.date=1+February+2014&rft.volume=24&rft.pages=98%E2%80%93105&rft_id=info:doi\/10.1016%2Fj.sbi.2013.12.006&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0959440X13002157&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-73\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-73\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Leitherer, Andreas; Ziletti, Angelo; Ghiringhelli, Luca M. (29 October 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41467-021-26511-5\" target=\"_blank\">\"Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning\"<\/a> (in en). <i>Nature Communications<\/i> <b>12<\/b> (1): 6234. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41467-021-26511-5\" target=\"_blank\">10.1038\/s41467-021-26511-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2041-1723\" target=\"_blank\">2041-1723<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8556392\/\" target=\"_blank\">PMC8556392<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34716341\" target=\"_blank\">34716341<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41467-021-26511-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41467-021-26511-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Robust+recognition+and+exploratory+analysis+of+crystal+structures+via+Bayesian+deep+learning&rft.jtitle=Nature+Communications&rft.aulast=Leitherer&rft.aufirst=Andreas&rft.au=Leitherer%2C%26%2332%3BAndreas&rft.au=Ziletti%2C%26%2332%3BAngelo&rft.au=Ghiringhelli%2C%26%2332%3BLuca+M.&rft.date=29+October+2021&rft.volume=12&rft.issue=1&rft.pages=6234&rft_id=info:doi\/10.1038%2Fs41467-021-26511-5&rft.issn=2041-1723&rft_id=info:pmc\/PMC8556392&rft_id=info:pmid\/34716341&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41467-021-26511-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-74\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-74\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cummings, Peter T.; MCabe, Clare; Iacovella, Christopher R.; Ledeczi, Akos; Jankowski, Eric; Jayaraman, Arthi; Palmer, Jeremy C.; Maginn, Edward J. <i>et al.<\/i> (1 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/aiche.onlinelibrary.wiley.com\/doi\/10.1002\/aic.17206\" target=\"_blank\">\"Open\u2010source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework\"<\/a> (in en). <i>AIChE Journal<\/i> <b>67<\/b> (3): e17206. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Faic.17206\" target=\"_blank\">10.1002\/aic.17206<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0001-1541\" target=\"_blank\">0001-1541<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/aiche.onlinelibrary.wiley.com\/doi\/10.1002\/aic.17206\" target=\"_blank\">https:\/\/aiche.onlinelibrary.wiley.com\/doi\/10.1002\/aic.17206<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Open%E2%80%90source+molecular+modeling+software+in+chemical+engineering+focusing+on+the+Molecular+Simulation+Design+Framework&rft.jtitle=AIChE+Journal&rft.aulast=Cummings&rft.aufirst=Peter+T.&rft.au=Cummings%2C%26%2332%3BPeter+T.&rft.au=MCabe%2C%26%2332%3BClare&rft.au=Iacovella%2C%26%2332%3BChristopher+R.&rft.au=Ledeczi%2C%26%2332%3BAkos&rft.au=Jankowski%2C%26%2332%3BEric&rft.au=Jayaraman%2C%26%2332%3BArthi&rft.au=Palmer%2C%26%2332%3BJeremy+C.&rft.au=Maginn%2C%26%2332%3BEdward+J.&rft.au=Glotzer%2C%26%2332%3BSharon+C.&rft.date=1+March+2021&rft.volume=67&rft.issue=3&rft.pages=e17206&rft_id=info:doi\/10.1002%2Faic.17206&rft.issn=0001-1541&rft_id=https%3A%2F%2Faiche.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Faic.17206&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-75\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-75\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Laio, Alessandro; Parrinello, Michele (1 October 2002). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pnas.org\/doi\/full\/10.1073\/pnas.202427399\" target=\"_blank\">\"Escaping free-energy minima\"<\/a> (in en). <i>Proceedings of the National Academy of Sciences<\/i> <b>99<\/b> (20): 12562\u201312566. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1073%2Fpnas.202427399\" target=\"_blank\">10.1073\/pnas.202427399<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0027-8424\" target=\"_blank\">0027-8424<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC130499\/\" target=\"_blank\">PMC130499<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/12271136\" target=\"_blank\">12271136<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pnas.org\/doi\/full\/10.1073\/pnas.202427399\" target=\"_blank\">https:\/\/pnas.org\/doi\/full\/10.1073\/pnas.202427399<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Escaping+free-energy+minima&rft.jtitle=Proceedings+of+the+National+Academy+of+Sciences&rft.aulast=Laio&rft.aufirst=Alessandro&rft.au=Laio%2C%26%2332%3BAlessandro&rft.au=Parrinello%2C%26%2332%3BMichele&rft.date=1+October+2002&rft.volume=99&rft.issue=20&rft.pages=12562%E2%80%9312566&rft_id=info:doi\/10.1073%2Fpnas.202427399&rft.issn=0027-8424&rft_id=info:pmc\/PMC130499&rft_id=info:pmid\/12271136&rft_id=https%3A%2F%2Fpnas.org%2Fdoi%2Ffull%2F10.1073%2Fpnas.202427399&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-76\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-76\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Torrie, G.M.; 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(1 February 1977). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/0021999177901218\" target=\"_blank\">\"Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling\"<\/a> (in en). <i>Journal of Computational Physics<\/i> <b>23<\/b> (2): 187\u2013199. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2F0021-9991%2877%2990121-8\" target=\"_blank\">10.1016\/0021-9991(77)90121-8<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/0021999177901218\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/0021999177901218<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Nonphysical+sampling+distributions+in+Monte+Carlo+free-energy+estimation%3A+Umbrella+sampling&rft.jtitle=Journal+of+Computational+Physics&rft.aulast=Torrie&rft.aufirst=G.M.&rft.au=Torrie%2C%26%2332%3BG.M.&rft.au=Valleau%2C%26%2332%3BJ.P.&rft.date=1+February+1977&rft.volume=23&rft.issue=2&rft.pages=187%E2%80%93199&rft_id=info:doi\/10.1016%2F0021-9991%2877%2990121-8&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2F0021999177901218&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-77\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-77\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marinari, E; Parisi, G (15 July 1992). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1209\/0295-5075\/19\/6\/002\" target=\"_blank\">\"Simulated Tempering: A New Monte Carlo Scheme\"<\/a>. <i>Europhysics Letters (EPL)<\/i> <b>19<\/b> (6): 451\u2013458. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1209%2F0295-5075%2F19%2F6%2F002\" target=\"_blank\">10.1209\/0295-5075\/19\/6\/002<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0295-5075\" target=\"_blank\">0295-5075<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1209\/0295-5075\/19\/6\/002\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1209\/0295-5075\/19\/6\/002<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Simulated+Tempering%3A+A+New+Monte+Carlo+Scheme&rft.jtitle=Europhysics+Letters+%28EPL%29&rft.aulast=Marinari&rft.aufirst=E&rft.au=Marinari%2C%26%2332%3BE&rft.au=Parisi%2C%26%2332%3BG&rft.date=15+July+1992&rft.volume=19&rft.issue=6&rft.pages=451%E2%80%93458&rft_id=info:doi\/10.1209%2F0295-5075%2F19%2F6%2F002&rft.issn=0295-5075&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1209%2F0295-5075%2F19%2F6%2F002&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-78\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-78\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFDellagoBolhuisGeissler2002\">Dellago, Christoph; Bolhuis, Peter G.; Geissler, Phillip L. (3 July 2002), Prigogine, I.; Rice, Stuart A., eds., <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/0471231509.ch1\" target=\"_blank\">\"Transition Path Sampling\"<\/a> (in en), <i>Advances in Chemical Physics<\/i> (Wiley) <b>123<\/b>: 1\u201378, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2F0471231509.ch1\" target=\"_blank\">10.1002\/0471231509.ch1<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-471-21453-3<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/0471231509.ch1\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/0471231509.ch1<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-11-07<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Transition+Path+Sampling&rft.jtitle=Advances+in+Chemical+Physics&rft.aulast=Dellago&rft.aufirst=Christoph&rft.au=Dellago%2C%26%2332%3BChristoph&rft.au=Bolhuis%2C%26%2332%3BPeter+G.&rft.au=Geissler%2C%26%2332%3BPhillip+L.&rft.date=3+July+2002&rft.volume=123&rft.pages=1%E2%80%9378&rft.edition=1&rft.pub=Wiley&rft_id=info:doi\/10.1002%2F0471231509.ch1&rft.isbn=978-0-471-21453-3&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2F0471231509.ch1&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-79\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-79\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Allen, Rosalind J; Valeriani, Chantal; Rein ten Wolde, Pieter (18 November 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/21\/46\/463102\" target=\"_blank\">\"Forward flux sampling for rare event simulations\"<\/a>. <i>Journal of Physics: Condensed Matter<\/i> <b>21<\/b> (46): 463102. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F0953-8984%2F21%2F46%2F463102\" target=\"_blank\">10.1088\/0953-8984\/21\/46\/463102<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0953-8984\" target=\"_blank\">0953-8984<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/21\/46\/463102\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/0953-8984\/21\/46\/463102<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Forward+flux+sampling+for+rare+event+simulations&rft.jtitle=Journal+of+Physics%3A+Condensed+Matter&rft.aulast=Allen&rft.aufirst=Rosalind+J&rft.au=Allen%2C%26%2332%3BRosalind+J&rft.au=Valeriani%2C%26%2332%3BChantal&rft.au=Rein+ten+Wolde%2C%26%2332%3BPieter&rft.date=18+November+2009&rft.volume=21&rft.issue=46&rft.pages=463102&rft_id=info:doi\/10.1088%2F0953-8984%2F21%2F46%2F463102&rft.issn=0953-8984&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F0953-8984%2F21%2F46%2F463102&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-80\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-80\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Tribello, Gareth A.; Bonomi, Massimiliano; Branduardi, Davide; Camilloni, Carlo; Bussi, Giovanni (1 February 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513003196\" target=\"_blank\">\"PLUMED 2: New feathers for an old bird\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>185<\/b> (2): 604\u2013613. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2013.09.018\" target=\"_blank\">10.1016\/j.cpc.2013.09.018<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513003196\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513003196<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=PLUMED+2%3A+New+feathers+for+an+old+bird&rft.jtitle=Computer+Physics+Communications&rft.aulast=Tribello&rft.aufirst=Gareth+A.&rft.au=Tribello%2C%26%2332%3BGareth+A.&rft.au=Bonomi%2C%26%2332%3BMassimiliano&rft.au=Branduardi%2C%26%2332%3BDavide&rft.au=Camilloni%2C%26%2332%3BCarlo&rft.au=Bussi%2C%26%2332%3BGiovanni&rft.date=1+February+2014&rft.volume=185&rft.issue=2&rft.pages=604%E2%80%93613&rft_id=info:doi\/10.1016%2Fj.cpc.2013.09.018&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465513003196&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-81\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-81\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Greff da Silveira, Leandro; Jacobs, Matheus; Prampolini, Giacomo; Livotto, Paolo Roberto; Cacelli, Ivo (11 September 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.8b00218\" target=\"_blank\">\"Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles\"<\/a> (in en). <i>Journal of Chemical Theory and Computation<\/i> <b>14<\/b> (9): 4884\u20134900. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.jctc.8b00218\" target=\"_blank\">10.1021\/acs.jctc.8b00218<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1549-9618\" target=\"_blank\">1549-9618<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.8b00218\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.8b00218<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Development+and+Validation+of+Quantum+Mechanically+Derived+Force-Fields%3A+Thermodynamic%2C+Structural%2C+and+Vibrational+Properties+of+Aromatic+Heterocycles&rft.jtitle=Journal+of+Chemical+Theory+and+Computation&rft.aulast=Greff+da+Silveira&rft.aufirst=Leandro&rft.au=Greff+da+Silveira%2C%26%2332%3BLeandro&rft.au=Jacobs%2C%26%2332%3BMatheus&rft.au=Prampolini%2C%26%2332%3BGiacomo&rft.au=Livotto%2C%26%2332%3BPaolo+Roberto&rft.au=Cacelli%2C%26%2332%3BIvo&rft.date=11+September+2018&rft.volume=14&rft.issue=9&rft.pages=4884%E2%80%934900&rft_id=info:doi\/10.1021%2Facs.jctc.8b00218&rft.issn=1549-9618&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jctc.8b00218&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-82\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-82\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Abraham, Mark James; Murtola, Teemu; Schulz, Roland; P\u00e1ll, Szil\u00e1rd; Smith, Jeremy C.; Hess, Berk; Lindahl, Erik (1 September 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711015000059\" target=\"_blank\">\"GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers\"<\/a> (in en). <i>SoftwareX<\/i> <b>1-2<\/b>: 19\u201325. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.softx.2015.06.001\" target=\"_blank\">10.1016\/j.softx.2015.06.001<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711015000059\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711015000059<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=GROMACS%3A+High+performance+molecular+simulations+through+multi-level+parallelism+from+laptops+to+supercomputers&rft.jtitle=SoftwareX&rft.aulast=Abraham&rft.aufirst=Mark+James&rft.au=Abraham%2C%26%2332%3BMark+James&rft.au=Murtola%2C%26%2332%3BTeemu&rft.au=Schulz%2C%26%2332%3BRoland&rft.au=P%C3%A1ll%2C%26%2332%3BSzil%C3%A1rd&rft.au=Smith%2C%26%2332%3BJeremy+C.&rft.au=Hess%2C%26%2332%3BBerk&rft.au=Lindahl%2C%26%2332%3BErik&rft.date=1+September+2015&rft.volume=1-2&rft.pages=19%E2%80%9325&rft_id=info:doi\/10.1016%2Fj.softx.2015.06.001&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2352711015000059&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-83\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-83\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Todorov, Ilian T.; Smith, William; Trachenko, Kostya; Dove, Martin T. (2006). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/xlink.rsc.org\/?DOI=b517931a\" target=\"_blank\">\"DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism\"<\/a> (in en). <i>Journal of Materials Chemistry<\/i> <b>16<\/b> (20): 1911. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1039%2Fb517931a\" target=\"_blank\">10.1039\/b517931a<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0959-9428\" target=\"_blank\">0959-9428<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/xlink.rsc.org\/?DOI=b517931a\" target=\"_blank\">http:\/\/xlink.rsc.org\/?DOI=b517931a<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=DL_POLY_3%3A+new+dimensions+in+molecular+dynamics+simulations+via+massive+parallelism&rft.jtitle=Journal+of+Materials+Chemistry&rft.aulast=Todorov&rft.aufirst=Ilian+T.&rft.au=Todorov%2C%26%2332%3BIlian+T.&rft.au=Smith%2C%26%2332%3BWilliam&rft.au=Trachenko%2C%26%2332%3BKostya&rft.au=Dove%2C%26%2332%3BMartin+T.&rft.date=2006&rft.volume=16&rft.issue=20&rft.pages=1911&rft_id=info:doi\/10.1039%2Fb517931a&rft.issn=0959-9428&rft_id=http%3A%2F%2Fxlink.rsc.org%2F%3FDOI%3Db517931a&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-84\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-84\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Thompson, Aidan P.; Aktulga, H. Metin; Berger, Richard; Bolintineanu, Dan S.; Brown, W. Michael; Crozier, Paul S.; in 't Veld, Pieter J.; Kohlmeyer, Axel <i>et al.<\/i> (1 February 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465521002836\" target=\"_blank\">\"LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>271<\/b>: 108171. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2021.108171\" target=\"_blank\">10.1016\/j.cpc.2021.108171<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465521002836\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465521002836<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=LAMMPS+-+a+flexible+simulation+tool+for+particle-based+materials+modeling+at+the+atomic%2C+meso%2C+and+continuum+scales&rft.jtitle=Computer+Physics+Communications&rft.aulast=Thompson&rft.aufirst=Aidan+P.&rft.au=Thompson%2C%26%2332%3BAidan+P.&rft.au=Aktulga%2C%26%2332%3BH.+Metin&rft.au=Berger%2C%26%2332%3BRichard&rft.au=Bolintineanu%2C%26%2332%3BDan+S.&rft.au=Brown%2C%26%2332%3BW.+Michael&rft.au=Crozier%2C%26%2332%3BPaul+S.&rft.au=in+%27t+Veld%2C%26%2332%3BPieter+J.&rft.au=Kohlmeyer%2C%26%2332%3BAxel&rft.au=Moore%2C%26%2332%3BStan+G.&rft.date=1+February+2022&rft.volume=271&rft.pages=108171&rft_id=info:doi\/10.1016%2Fj.cpc.2021.108171&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465521002836&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-85\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-85\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">K\u00fchne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z. <i>et al.<\/i> (21 May 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/152\/19\/194103\/199081\/CP2K-An-electronic-structure-and-molecular\" target=\"_blank\">\"CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations\"<\/a> (in en). <i>The Journal of Chemical Physics<\/i> <b>152<\/b> (19): 194103. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F5.0007045\" target=\"_blank\">10.1063\/5.0007045<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0021-9606\" target=\"_blank\">0021-9606<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/jcp\/article\/152\/19\/194103\/199081\/CP2K-An-electronic-structure-and-molecular\" target=\"_blank\">https:\/\/pubs.aip.org\/jcp\/article\/152\/19\/194103\/199081\/CP2K-An-electronic-structure-and-molecular<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CP2K%3A+An+electronic+structure+and+molecular+dynamics+software+package+-+Quickstep%3A+Efficient+and+accurate+electronic+structure+calculations&rft.jtitle=The+Journal+of+Chemical+Physics&rft.aulast=K%C3%BChne&rft.aufirst=Thomas+D.&rft.au=K%C3%BChne%2C%26%2332%3BThomas+D.&rft.au=Iannuzzi%2C%26%2332%3BMarcella&rft.au=Del+Ben%2C%26%2332%3BMauro&rft.au=Rybkin%2C%26%2332%3BVladimir+V.&rft.au=Seewald%2C%26%2332%3BPatrick&rft.au=Stein%2C%26%2332%3BFrederick&rft.au=Laino%2C%26%2332%3BTeodoro&rft.au=Khaliullin%2C%26%2332%3BRustam+Z.&rft.au=Sch%C3%BCtt%2C%26%2332%3BOle&rft.date=21+May+2020&rft.volume=152&rft.issue=19&rft.pages=194103&rft_id=info:doi\/10.1063%2F5.0007045&rft.issn=0021-9606&rft_id=https%3A%2F%2Fpubs.aip.org%2Fjcp%2Farticle%2F152%2F19%2F194103%2F199081%2FCP2K-An-electronic-structure-and-molecular&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-86\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-86\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kapil, Venkat; 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Yip, Sidney, eds., <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-42913-7_64-1\" target=\"_blank\">\"Open-Science Platform for Computational Materials Science: AiiDA and the Materials Cloud\"<\/a> (in en), <i>Handbook of Materials Modeling<\/i> (Cham: Springer International Publishing): 1\u201324, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-3-319-42913-7_64-1\" target=\"_blank\">10.1007\/978-3-319-42913-7_64-1<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-319-42913-7<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-42913-7_64-1\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/978-3-319-42913-7_64-1<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-11-07<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Open-Science+Platform+for+Computational+Materials+Science%3A+AiiDA+and+the+Materials+Cloud&rft.jtitle=Handbook+of+Materials+Modeling&rft.aulast=Pizzi&rft.aufirst=Giovanni&rft.au=Pizzi%2C%26%2332%3BGiovanni&rft.date=2018&rft.pages=1%E2%80%9324&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-319-42913-7_64-1&rft.isbn=978-3-319-42913-7&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-319-42913-7_64-1&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-94\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-94\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Jain, Anubhav; Ong, Shyue Ping; Chen, Wei; Medasani, Bharat; Qu, Xiaohui; Kocher, Michael; Brafman, Miriam; Petretto, Guido <i>et al.<\/i> (10 December 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cpe.3505\" target=\"_blank\">\"FireWorks: a dynamic workflow system designed for high\u2010throughput applications\"<\/a> (in en). <i>Concurrency and Computation: Practice and Experience<\/i> <b>27<\/b> (17): 5037\u20135059. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fcpe.3505\" target=\"_blank\">10.1002\/cpe.3505<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1532-0626\" target=\"_blank\">1532-0626<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cpe.3505\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cpe.3505<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=FireWorks%3A+a+dynamic+workflow+system+designed+for+high%E2%80%90throughput+applications&rft.jtitle=Concurrency+and+Computation%3A+Practice+and+Experience&rft.aulast=Jain&rft.aufirst=Anubhav&rft.au=Jain%2C%26%2332%3BAnubhav&rft.au=Ong%2C%26%2332%3BShyue+Ping&rft.au=Chen%2C%26%2332%3BWei&rft.au=Medasani%2C%26%2332%3BBharat&rft.au=Qu%2C%26%2332%3BXiaohui&rft.au=Kocher%2C%26%2332%3BMichael&rft.au=Brafman%2C%26%2332%3BMiriam&rft.au=Petretto%2C%26%2332%3BGuido&rft.au=Rignanese%2C%26%2332%3BGian%E2%80%90Marco&rft.date=10+December+2015&rft.volume=27&rft.issue=17&rft.pages=5037%E2%80%935059&rft_id=info:doi\/10.1002%2Fcpe.3505&rft.issn=1532-0626&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fcpe.3505&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-95\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-95\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Br\u00f6der, J., Wortmann, D. & Bl\u00fcgel, S. 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Schulz, M.; Pleiter, D.; Bauer, P.. ed. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.fz-juelich.de\/en\/ias\/jsc\/news\/events\/2018\/extreme-data-workshop-2018\" target=\"_blank\">\"Using the AiiDA-FLEUR package for all-electron ab initio electronic structure data generation and processing in materials science\"<\/a>. <i>Extreme Data Workshop 2018 Proceedings<\/i> <b>40<\/b>: 43\u20137. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-95806-392-1. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1868-8489\" target=\"_blank\">1868-8489<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.fz-juelich.de\/en\/ias\/jsc\/news\/events\/2018\/extreme-data-workshop-2018\" target=\"_blank\">https:\/\/www.fz-juelich.de\/en\/ias\/jsc\/news\/events\/2018\/extreme-data-workshop-2018<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Using+the+AiiDA-FLEUR+package+for+all-electron+ab+initio+electronic+structure+data+generation+and+processing+in+materials+science&rft.jtitle=Extreme+Data+Workshop+2018+Proceedings&rft.aulast=Br%C3%B6der%2C+J.%2C+Wortmann%2C+D.+%26+Bl%C3%BCgel%2C+S.&rft.au=Br%C3%B6der%2C+J.%2C+Wortmann%2C+D.+%26+Bl%C3%BCgel%2C+S.&rft.date=2018&rft.volume=40&rft.pages=43%E2%80%937&rft.isbn=978-3-95806-392-1&rft.issn=1868-8489&rft_id=https%3A%2F%2Fwww.fz-juelich.de%2Fen%2Fias%2Fjsc%2Fnews%2Fevents%2F2018%2Fextreme-data-workshop-2018&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-96\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-96\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Toher, Cormac; Plata, Jose J.; Levy, Ohad; de Jong, Maarten; Asta, Mark; Nardelli, Marco Buongiorno; Curtarolo, Stefano (12 November 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.90.174107\" target=\"_blank\">\"High-throughput computational screening of thermal conductivity, Debye temperature, and Gr\u00fcneisen parameter using a quasiharmonic Debye model\"<\/a> (in en). <i>Physical Review B<\/i> <b>90<\/b> (17): 174107. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevB.90.174107\" target=\"_blank\">10.1103\/PhysRevB.90.174107<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1098-0121\" target=\"_blank\">1098-0121<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.90.174107\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevB.90.174107<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=High-throughput+computational+screening+of+thermal+conductivity%2C+Debye+temperature%2C+and+Gr%C3%BCneisen+parameter+using+a+quasiharmonic+Debye+model&rft.jtitle=Physical+Review+B&rft.aulast=Toher&rft.aufirst=Cormac&rft.au=Toher%2C%26%2332%3BCormac&rft.au=Plata%2C%26%2332%3BJose+J.&rft.au=Levy%2C%26%2332%3BOhad&rft.au=de+Jong%2C%26%2332%3BMaarten&rft.au=Asta%2C%26%2332%3BMark&rft.au=Nardelli%2C%26%2332%3BMarco+Buongiorno&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.date=12+November+2014&rft.volume=90&rft.issue=17&rft.pages=174107&rft_id=info:doi\/10.1103%2FPhysRevB.90.174107&rft.issn=1098-0121&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevB.90.174107&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-97\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-97\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Huber, Sebastiaan P.; 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Tanaka, Isao (1 November 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1359646215003127\" target=\"_blank\">\"First principles phonon calculations in materials science\"<\/a> (in en). <i>Scripta Materialia<\/i> <b>108<\/b>: 1\u20135. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.scriptamat.2015.07.021\" target=\"_blank\">10.1016\/j.scriptamat.2015.07.021<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1359646215003127\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1359646215003127<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=First+principles+phonon+calculations+in+materials+science&rft.jtitle=Scripta+Materialia&rft.aulast=Togo&rft.aufirst=Atsushi&rft.au=Togo%2C%26%2332%3BAtsushi&rft.au=Tanaka%2C%26%2332%3BIsao&rft.date=1+November+2015&rft.volume=108&rft.pages=1%E2%80%935&rft_id=info:doi\/10.1016%2Fj.scriptamat.2015.07.021&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1359646215003127&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-99\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-99\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Petretto, Guido; Gonze, Xavier; Hautier, Geoffroy; Rignanese, Gian-Marco (1 March 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025617307243\" target=\"_blank\">\"Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective\"<\/a> (in en). <i>Computational Materials Science<\/i> <b>144<\/b>: 331\u2013337. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.commatsci.2017.12.040\" target=\"_blank\">10.1016\/j.commatsci.2017.12.040<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025617307243\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0927025617307243<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Convergence+and+pitfalls+of+density+functional+perturbation+theory+phonons+calculations+from+a+high-throughput+perspective&rft.jtitle=Computational+Materials+Science&rft.aulast=Petretto&rft.aufirst=Guido&rft.au=Petretto%2C%26%2332%3BGuido&rft.au=Gonze%2C%26%2332%3BXavier&rft.au=Hautier%2C%26%2332%3BGeoffroy&rft.au=Rignanese%2C%26%2332%3BGian-Marco&rft.date=1+March+2018&rft.volume=144&rft.pages=331%E2%80%93337&rft_id=info:doi\/10.1016%2Fj.commatsci.2017.12.040&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0927025617307243&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-100\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-100\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Petretto, Guido; 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Miranda, Henrique; Winston, Donald; Giantomassi, Matteo; van Setten, Michiel J.; Gonze, Xavier; Persson, Kristin A. <i>et al.<\/i> (1 May 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/sdata201865\" target=\"_blank\">\"High-throughput density-functional perturbation theory phonons for inorganic materials\"<\/a> (in en). <i>Scientific Data<\/i> <b>5<\/b> (1): 180065. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fsdata.2018.65\" target=\"_blank\">10.1038\/sdata.2018.65<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5928854\/\" target=\"_blank\">PMC5928854<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29714723\" target=\"_blank\">29714723<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/sdata201865\" target=\"_blank\">https:\/\/www.nature.com\/articles\/sdata201865<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=High-throughput+density-functional+perturbation+theory+phonons+for+inorganic+materials&rft.jtitle=Scientific+Data&rft.aulast=Petretto&rft.aufirst=Guido&rft.au=Petretto%2C%26%2332%3BGuido&rft.au=Dwaraknath%2C%26%2332%3BShyam&rft.au=P.C.+Miranda%2C%26%2332%3BHenrique&rft.au=Winston%2C%26%2332%3BDonald&rft.au=Giantomassi%2C%26%2332%3BMatteo&rft.au=van+Setten%2C%26%2332%3BMichiel+J.&rft.au=Gonze%2C%26%2332%3BXavier&rft.au=Persson%2C%26%2332%3BKristin+A.&rft.au=Hautier%2C%26%2332%3BGeoffroy&rft.date=1+May+2018&rft.volume=5&rft.issue=1&rft.pages=180065&rft_id=info:doi\/10.1038%2Fsdata.2018.65&rft.issn=2052-4463&rft_id=info:pmc\/PMC5928854&rft_id=info:pmid\/29714723&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fsdata201865&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-101\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-101\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mounet, Nicolas; 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Purcell, Thomas; Scheffler, Matthias; Carbogno, Christian (2 December 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/joss.theoj.org\/papers\/10.21105\/joss.02671\" target=\"_blank\">\"FHI-vibes: Ab Initio Vibrational Simulations\"<\/a>. <i>Journal of Open Source Software<\/i> <b>5<\/b> (56): 2671. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21105%2Fjoss.02671\" target=\"_blank\">10.21105\/joss.02671<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9066\" target=\"_blank\">2475-9066<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/joss.theoj.org\/papers\/10.21105\/joss.02671\" target=\"_blank\">https:\/\/joss.theoj.org\/papers\/10.21105\/joss.02671<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=FHI-vibes%3A+Ab+Initio+Vibrational+Simulations&rft.jtitle=Journal+of+Open+Source+Software&rft.aulast=Knoop&rft.aufirst=Florian&rft.au=Knoop%2C%26%2332%3BFlorian&rft.au=Purcell%2C%26%2332%3BThomas&rft.au=Scheffler%2C%26%2332%3BMatthias&rft.au=Carbogno%2C%26%2332%3BChristian&rft.date=2+December+2020&rft.volume=5&rft.issue=56&rft.pages=2671&rft_id=info:doi\/10.21105%2Fjoss.02671&rft.issn=2475-9066&rft_id=https%3A%2F%2Fjoss.theoj.org%2Fpapers%2F10.21105%2Fjoss.02671&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-103\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-103\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">de Jong, Maarten; 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Oses, Corey; Plata, Jose J.; Hicks, David; Rose, Frisco; Levy, Ohad; de Jong, Maarten; Asta, Mark <i>et al.<\/i> (19 June 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.1.015401\" target=\"_blank\">\"Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids\"<\/a> (in en). <i>Physical Review Materials<\/i> <b>1<\/b> (1): 015401. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevMaterials.1.015401\" target=\"_blank\">10.1103\/PhysRevMaterials.1.015401<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9953\" target=\"_blank\">2475-9953<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.1.015401\" target=\"_blank\">http:\/\/link.aps.org\/doi\/10.1103\/PhysRevMaterials.1.015401<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Combining+the+AFLOW+GIBBS+and+elastic+libraries+to+efficiently+and+robustly+screen+thermomechanical+properties+of+solids&rft.jtitle=Physical+Review+Materials&rft.aulast=Toher&rft.aufirst=Cormac&rft.au=Toher%2C%26%2332%3BCormac&rft.au=Oses%2C%26%2332%3BCorey&rft.au=Plata%2C%26%2332%3BJose+J.&rft.au=Hicks%2C%26%2332%3BDavid&rft.au=Rose%2C%26%2332%3BFrisco&rft.au=Levy%2C%26%2332%3BOhad&rft.au=de+Jong%2C%26%2332%3BMaarten&rft.au=Asta%2C%26%2332%3BMark&rft.au=Fornari%2C%26%2332%3BMarco&rft.date=19+June+2017&rft.volume=1&rft.issue=1&rft.pages=015401&rft_id=info:doi\/10.1103%2FPhysRevMaterials.1.015401&rft.issn=2475-9953&rft_id=http%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevMaterials.1.015401&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-105\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-105\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Golesorkhtabar, Rostam; Pavone, Pasquale; Spitaler, J\u00fcrgen; Puschnig, Peter; Draxl, Claudia (1 August 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513001070\" target=\"_blank\">\"ElaStic: A tool for calculating second-order elastic constants from first principles\"<\/a> (in en). <i>Computer Physics Communications<\/i> <b>184<\/b> (8): 1861\u20131873. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cpc.2013.03.010\" target=\"_blank\">10.1016\/j.cpc.2013.03.010<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513001070\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0010465513001070<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=ElaStic%3A+A+tool+for+calculating+second-order+elastic+constants+from+first+principles&rft.jtitle=Computer+Physics+Communications&rft.aulast=Golesorkhtabar&rft.aufirst=Rostam&rft.au=Golesorkhtabar%2C%26%2332%3BRostam&rft.au=Pavone%2C%26%2332%3BPasquale&rft.au=Spitaler%2C%26%2332%3BJ%C3%BCrgen&rft.au=Puschnig%2C%26%2332%3BPeter&rft.au=Draxl%2C%26%2332%3BClaudia&rft.date=1+August+2013&rft.volume=184&rft.issue=8&rft.pages=1861%E2%80%931873&rft_id=info:doi\/10.1016%2Fj.cpc.2013.03.010&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0010465513001070&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-106\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-106\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Oses, Corey; Toher, Cormac; Curtarolo, Stefano (1 September 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1557\/mrs.2018.207\" target=\"_blank\">\"Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery\"<\/a> (in en). <i>MRS Bulletin<\/i> <b>43<\/b> (9): 670\u2013675. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1557%2Fmrs.2018.207\" target=\"_blank\">10.1557\/mrs.2018.207<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0883-7694\" target=\"_blank\">0883-7694<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1557\/mrs.2018.207\" target=\"_blank\">http:\/\/link.springer.com\/10.1557\/mrs.2018.207<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Data-driven+design+of+inorganic+materials+with+the+Automatic+Flow+Framework+for+Materials+Discovery&rft.jtitle=MRS+Bulletin&rft.aulast=Oses&rft.aufirst=Corey&rft.au=Oses%2C%26%2332%3BCorey&rft.au=Toher%2C%26%2332%3BCormac&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.date=1+September+2018&rft.volume=43&rft.issue=9&rft.pages=670%E2%80%93675&rft_id=info:doi\/10.1557%2Fmrs.2018.207&rft.issn=0883-7694&rft_id=http%3A%2F%2Flink.springer.com%2F10.1557%2Fmrs.2018.207&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-107\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-107\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jes\u00fas; Toher, Cormac; de Jong, Maarten; Asta, Mark; Fornari, Marco <i>et al.<\/i> (20 October 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0046-7\" target=\"_blank\">\"An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW\u2014AAPL Automatic Anharmonic Phonon Library\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>3<\/b> (1): 45. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-017-0046-7\" target=\"_blank\">10.1038\/s41524-017-0046-7<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-017-0046-7\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-017-0046-7<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=An+efficient+and+accurate+framework+for+calculating+lattice+thermal+conductivity+of+solids%3A+AFLOW%E2%80%94AAPL+Automatic+Anharmonic+Phonon+Library&rft.jtitle=npj+Computational+Materials&rft.aulast=Plata&rft.aufirst=Jose+J.&rft.au=Plata%2C%26%2332%3BJose+J.&rft.au=Nath%2C%26%2332%3BPinku&rft.au=Usanmaz%2C%26%2332%3BDemet&rft.au=Carrete%2C%26%2332%3BJes%C3%BAs&rft.au=Toher%2C%26%2332%3BCormac&rft.au=de+Jong%2C%26%2332%3BMaarten&rft.au=Asta%2C%26%2332%3BMark&rft.au=Fornari%2C%26%2332%3BMarco&rft.au=Nardelli%2C%26%2332%3BMarco+Buongiorno&rft.date=20+October+2017&rft.volume=3&rft.issue=1&rft.pages=45&rft_id=info:doi\/10.1038%2Fs41524-017-0046-7&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-017-0046-7&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-108\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-108\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Yang, Kesong; Oses, Corey; Curtarolo, Stefano (27 September 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.6b01449\" target=\"_blank\">\"Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach\"<\/a> (in en). <i>Chemistry of Materials<\/i> <b>28<\/b> (18): 6484\u20136492. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.chemmater.6b01449\" target=\"_blank\">10.1021\/acs.chemmater.6b01449<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-4756\" target=\"_blank\">0897-4756<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.6b01449\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.6b01449<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Modeling+Off-Stoichiometry+Materials+with+a+High-Throughput+Ab-Initio+Approach&rft.jtitle=Chemistry+of+Materials&rft.aulast=Yang&rft.aufirst=Kesong&rft.au=Yang%2C%26%2332%3BKesong&rft.au=Oses%2C%26%2332%3BCorey&rft.au=Curtarolo%2C%26%2332%3BStefano&rft.date=27+September+2016&rft.volume=28&rft.issue=18&rft.pages=6484%E2%80%936492&rft_id=info:doi\/10.1021%2Facs.chemmater.6b01449&rft.issn=0897-4756&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.chemmater.6b01449&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-109\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-109\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Symalla, Franz; Friederich, Pascal; Mass\u00e9, Andrea; Meded, Velimir; Coehoorn, Reinder; Bobbert, Peter; Wenzel, Wolfgang (29 December 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.117.276803\" target=\"_blank\">\"Charge Transport by Superexchange in Molecular Host-Guest Systems\"<\/a> (in en). <i>Physical Review Letters<\/i> <b>117<\/b> (27): 276803. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1103%2FPhysRevLett.117.276803\" target=\"_blank\">10.1103\/PhysRevLett.117.276803<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0031-9007\" target=\"_blank\">0031-9007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.117.276803\" target=\"_blank\">https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.117.276803<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Charge+Transport+by+Superexchange+in+Molecular+Host-Guest+Systems&rft.jtitle=Physical+Review+Letters&rft.aulast=Symalla&rft.aufirst=Franz&rft.au=Symalla%2C%26%2332%3BFranz&rft.au=Friederich%2C%26%2332%3BPascal&rft.au=Mass%C3%A9%2C%26%2332%3BAndrea&rft.au=Meded%2C%26%2332%3BVelimir&rft.au=Coehoorn%2C%26%2332%3BReinder&rft.au=Bobbert%2C%26%2332%3BPeter&rft.au=Wenzel%2C%26%2332%3BWolfgang&rft.date=29+December+2016&rft.volume=117&rft.issue=27&rft.pages=276803&rft_id=info:doi\/10.1103%2FPhysRevLett.117.276803&rft.issn=0031-9007&rft_id=https%3A%2F%2Flink.aps.org%2Fdoi%2F10.1103%2FPhysRevLett.117.276803&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-110\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-110\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Friederich, Pascal; G\u00f3mez, Ver\u00f3nica; Sprau, Christian; Meded, Velimir; Strunk, Timo; Jenne, Michael; Magri, Andrea; Symalla, Franz <i>et al.<\/i> (1 November 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adma.201703505\" target=\"_blank\">\"Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility\"<\/a> (in en). <i>Advanced Materials<\/i> <b>29<\/b> (43): 1703505. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fadma.201703505\" target=\"_blank\">10.1002\/adma.201703505<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0935-9648\" target=\"_blank\">0935-9648<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adma.201703505\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adma.201703505<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Rational+In+Silico+Design+of+an+Organic+Semiconductor+with+Improved+Electron+Mobility&rft.jtitle=Advanced+Materials&rft.aulast=Friederich&rft.aufirst=Pascal&rft.au=Friederich%2C%26%2332%3BPascal&rft.au=G%C3%B3mez%2C%26%2332%3BVer%C3%B3nica&rft.au=Sprau%2C%26%2332%3BChristian&rft.au=Meded%2C%26%2332%3BVelimir&rft.au=Strunk%2C%26%2332%3BTimo&rft.au=Jenne%2C%26%2332%3BMichael&rft.au=Magri%2C%26%2332%3BAndrea&rft.au=Symalla%2C%26%2332%3BFranz&rft.au=Colsmann%2C%26%2332%3BAlexander&rft.date=1+November+2017&rft.volume=29&rft.issue=43&rft.pages=1703505&rft_id=info:doi\/10.1002%2Fadma.201703505&rft.issn=0935-9648&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fadma.201703505&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-111\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-111\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mercado, Roc\u00edo; Fu, Rueih-Sheng; Yakutovich, Aliaksandr V.; Talirz, Leopold; Haranczyk, Maciej; Smit, Berend (14 August 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.8b01425\" target=\"_blank\">\"In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications\"<\/a> (in en). <i>Chemistry of Materials<\/i> <b>30<\/b> (15): 5069\u20135086. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.chemmater.8b01425\" target=\"_blank\">10.1021\/acs.chemmater.8b01425<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-4756\" target=\"_blank\">0897-4756<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.8b01425\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemmater.8b01425<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=In+Silico+Design+of+2D+and+3D+Covalent+Organic+Frameworks+for+Methane+Storage+Applications&rft.jtitle=Chemistry+of+Materials&rft.aulast=Mercado&rft.aufirst=Roc%C3%ADo&rft.au=Mercado%2C%26%2332%3BRoc%C3%ADo&rft.au=Fu%2C%26%2332%3BRueih-Sheng&rft.au=Yakutovich%2C%26%2332%3BAliaksandr+V.&rft.au=Talirz%2C%26%2332%3BLeopold&rft.au=Haranczyk%2C%26%2332%3BMaciej&rft.au=Smit%2C%26%2332%3BBerend&rft.date=14+August+2018&rft.volume=30&rft.issue=15&rft.pages=5069%E2%80%935086&rft_id=info:doi\/10.1021%2Facs.chemmater.8b01425&rft.issn=0897-4756&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.chemmater.8b01425&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-112\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-112\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">R\u00fc\u00dfmann, Philipp; Bertoldo, Fabian; Bl\u00fcgel, Stefan (26 January 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-00482-5\" target=\"_blank\">\"The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>7<\/b> (1): 13. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-020-00482-5\" target=\"_blank\">10.1038\/s41524-020-00482-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-00482-5\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-020-00482-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+AiiDA-KKR+plugin+and+its+application+to+high-throughput+impurity+embedding+into+a+topological+insulator&rft.jtitle=npj+Computational+Materials&rft.aulast=R%C3%BC%C3%9Fmann&rft.aufirst=Philipp&rft.au=R%C3%BC%C3%9Fmann%2C%26%2332%3BPhilipp&rft.au=Bertoldo%2C%26%2332%3BFabian&rft.au=Bl%C3%BCgel%2C%26%2332%3BStefan&rft.date=26+January+2021&rft.volume=7&rft.issue=1&rft.pages=13&rft_id=info:doi\/10.1038%2Fs41524-020-00482-5&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-020-00482-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-113\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-113\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Vitale, Valerio; Pizzi, Giovanni; Marrazzo, Antimo; Yates, Jonathan R.; Marzari, Nicola; Mostofi, Arash A. (1 June 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-0312-y\" target=\"_blank\">\"Automated high-throughput Wannierisation\"<\/a> (in en). <i>npj Computational Materials<\/i> <b>6<\/b> (1): 66. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41524-020-0312-y\" target=\"_blank\">10.1038\/s41524-020-0312-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2057-3960\" target=\"_blank\">2057-3960<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41524-020-0312-y\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41524-020-0312-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Automated+high-throughput+Wannierisation&rft.jtitle=npj+Computational+Materials&rft.aulast=Vitale&rft.aufirst=Valerio&rft.au=Vitale%2C%26%2332%3BValerio&rft.au=Pizzi%2C%26%2332%3BGiovanni&rft.au=Marrazzo%2C%26%2332%3BAntimo&rft.au=Yates%2C%26%2332%3BJonathan+R.&rft.au=Marzari%2C%26%2332%3BNicola&rft.au=Mostofi%2C%26%2332%3BArash+A.&rft.date=1+June+2020&rft.volume=6&rft.issue=1&rft.pages=66&rft_id=info:doi\/10.1038%2Fs41524-020-0312-y&rft.issn=2057-3960&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41524-020-0312-y&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-114\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-114\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mishra, Shantanu; Catarina, Gon\u00e7alo; Wu, Fupeng; Ortiz, Ricardo; Jacob, David; Eimre, Kristjan; Ma, Ji; Pignedoli, Carlo A. <i>et al.<\/i> (14 October 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41586-021-03842-3\" target=\"_blank\">\"Observation of fractional edge excitations in nanographene spin chains\"<\/a> (in en). <i>Nature<\/i> <b>598<\/b> (7880): 287\u2013292. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41586-021-03842-3\" target=\"_blank\">10.1038\/s41586-021-03842-3<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0028-0836\" target=\"_blank\">0028-0836<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41586-021-03842-3\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41586-021-03842-3<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Observation+of+fractional+edge+excitations+in+nanographene+spin+chains&rft.jtitle=Nature&rft.aulast=Mishra&rft.aufirst=Shantanu&rft.au=Mishra%2C%26%2332%3BShantanu&rft.au=Catarina%2C%26%2332%3BGon%C3%A7alo&rft.au=Wu%2C%26%2332%3BFupeng&rft.au=Ortiz%2C%26%2332%3BRicardo&rft.au=Jacob%2C%26%2332%3BDavid&rft.au=Eimre%2C%26%2332%3BKristjan&rft.au=Ma%2C%26%2332%3BJi&rft.au=Pignedoli%2C%26%2332%3BCarlo+A.&rft.au=Feng%2C%26%2332%3BXinliang&rft.date=14+October+2021&rft.volume=598&rft.issue=7880&rft.pages=287%E2%80%93292&rft_id=info:doi\/10.1038%2Fs41586-021-03842-3&rft.issn=0028-0836&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41586-021-03842-3&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-115\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-115\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Folk, Mike; Heber, Gerd; Koziol, Quincey; Pourmal, Elena; Robinson, Dana (25 March 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/dl.acm.org\/doi\/10.1145\/1966895.1966900\" target=\"_blank\">\"An overview of the HDF5 technology suite and its applications\"<\/a> (in en). <i>Proceedings of the EDBT\/ICDT 2011 Workshop on Array Databases<\/i> (Uppsala Sweden: ACM): 36\u201347. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1145%2F1966895.1966900\" target=\"_blank\">10.1145\/1966895.1966900<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4503-0614-0<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/dl.acm.org\/doi\/10.1145\/1966895.1966900\" target=\"_blank\">https:\/\/dl.acm.org\/doi\/10.1145\/1966895.1966900<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=An+overview+of+the+HDF5+technology+suite+and+its+applications&rft.jtitle=Proceedings+of+the+EDBT%2FICDT+2011+Workshop+on+Array+Databases&rft.aulast=Folk&rft.aufirst=Mike&rft.au=Folk%2C%26%2332%3BMike&rft.au=Heber%2C%26%2332%3BGerd&rft.au=Koziol%2C%26%2332%3BQuincey&rft.au=Pourmal%2C%26%2332%3BElena&rft.au=Robinson%2C%26%2332%3BDana&rft.date=25+March+2011&rft.pages=36%E2%80%9347&rft.place=Uppsala+Sweden&rft.pub=ACM&rft_id=info:doi\/10.1145%2F1966895.1966900&rft.isbn=978-1-4503-0614-0&rft_id=https%3A%2F%2Fdl.acm.org%2Fdoi%2F10.1145%2F1966895.1966900&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-116\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-116\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">K\u00f6nnecke, Mark; Akeroyd, Frederick A.; Bernstein, Herbert J.; Brewster, Aaron S.; Campbell, Stuart I.; Clausen, Bj\u00f6rn; Cottrell, Stephen; Hoffmann, Jens Uwe <i>et al.<\/i> (1 February 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576714027575\" target=\"_blank\">\"The NeXus data format\"<\/a>. <i>Journal of Applied Crystallography<\/i> <b>48<\/b> (1): 301\u2013305. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1600576714027575\" target=\"_blank\">10.1107\/S1600576714027575<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1600-5767\" target=\"_blank\">1600-5767<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4453170\/\" target=\"_blank\">PMC4453170<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26089752\" target=\"_blank\">26089752<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576714027575\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576714027575<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+NeXus+data+format&rft.jtitle=Journal+of+Applied+Crystallography&rft.aulast=K%C3%B6nnecke&rft.aufirst=Mark&rft.au=K%C3%B6nnecke%2C%26%2332%3BMark&rft.au=Akeroyd%2C%26%2332%3BFrederick+A.&rft.au=Bernstein%2C%26%2332%3BHerbert+J.&rft.au=Brewster%2C%26%2332%3BAaron+S.&rft.au=Campbell%2C%26%2332%3BStuart+I.&rft.au=Clausen%2C%26%2332%3BBj%C3%B6rn&rft.au=Cottrell%2C%26%2332%3BStephen&rft.au=Hoffmann%2C%26%2332%3BJens+Uwe&rft.au=Jemian%2C%26%2332%3BPete+R.&rft.date=1+February+2015&rft.volume=48&rft.issue=1&rft.pages=301%E2%80%93305&rft_id=info:doi\/10.1107%2FS1600576714027575&rft.issn=1600-5767&rft_id=info:pmc\/PMC4453170&rft_id=info:pmid\/26089752&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS1600576714027575&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-117\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-117\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Delageni\u00e8re, Solange; Brenchereau, Patrice; Launer, Ludovic; Ashton, Alun W.; Leal, Ricardo; Veyrier, St\u00e9phanie; Gabadinho, Jos\u00e9; Gordon, Elspeth J. <i>et al.<\/i> (15 November 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/bioinformatics\/article\/27\/22\/3186\/195018\" target=\"_blank\">\"ISPyB: an information management system for synchrotron macromolecular crystallography\"<\/a> (in en). <i>Bioinformatics<\/i> <b>27<\/b> (22): 3186\u20133192. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fbioinformatics%2Fbtr535\" target=\"_blank\">10.1093\/bioinformatics\/btr535<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1367-4811\" target=\"_blank\">1367-4811<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/bioinformatics\/article\/27\/22\/3186\/195018\" target=\"_blank\">https:\/\/academic.oup.com\/bioinformatics\/article\/27\/22\/3186\/195018<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=ISPyB%3A+an+information+management+system+for+synchrotron+macromolecular+crystallography&rft.jtitle=Bioinformatics&rft.aulast=Delageni%C3%A8re&rft.aufirst=Solange&rft.au=Delageni%C3%A8re%2C%26%2332%3BSolange&rft.au=Brenchereau%2C%26%2332%3BPatrice&rft.au=Launer%2C%26%2332%3BLudovic&rft.au=Ashton%2C%26%2332%3BAlun+W.&rft.au=Leal%2C%26%2332%3BRicardo&rft.au=Veyrier%2C%26%2332%3BSt%C3%A9phanie&rft.au=Gabadinho%2C%26%2332%3BJos%C3%A9&rft.au=Gordon%2C%26%2332%3BElspeth+J.&rft.au=Jones%2C%26%2332%3BSamuel+D.&rft.date=15+November+2011&rft.volume=27&rft.issue=22&rft.pages=3186%E2%80%933192&rft_id=info:doi\/10.1093%2Fbioinformatics%2Fbtr535&rft.issn=1367-4811&rft_id=https%3A%2F%2Facademic.oup.com%2Fbioinformatics%2Farticle%2F27%2F22%2F3186%2F195018&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-118\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-118\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Malbet-Monaco, St\u00e9phanie; Leonard, Gordon A.; Mitchell, Edward P.; Gordon, Elspeth J. (1 July 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0907444913001108\" target=\"_blank\">\"How the ESRF helps industry and how they help the ESRF\"<\/a>. <i>Acta Crystallographica Section D Biological Crystallography<\/i> <b>69<\/b> (7): 1289\u20131296. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS0907444913001108\" target=\"_blank\">10.1107\/S0907444913001108<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0907-4449\" target=\"_blank\">0907-4449<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3689532\/\" target=\"_blank\">PMC3689532<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/23793155\" target=\"_blank\">23793155<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0907444913001108\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0907444913001108<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=How+the+ESRF+helps+industry+and+how+they+help+the+ESRF&rft.jtitle=Acta+Crystallographica+Section+D+Biological+Crystallography&rft.aulast=Malbet-Monaco&rft.aufirst=St%C3%A9phanie&rft.au=Malbet-Monaco%2C%26%2332%3BSt%C3%A9phanie&rft.au=Leonard%2C%26%2332%3BGordon+A.&rft.au=Mitchell%2C%26%2332%3BEdward+P.&rft.au=Gordon%2C%26%2332%3BElspeth+J.&rft.date=1+July+2013&rft.volume=69&rft.issue=7&rft.pages=1289%E2%80%931296&rft_id=info:doi\/10.1107%2FS0907444913001108&rft.issn=0907-4449&rft_id=info:pmc\/PMC3689532&rft_id=info:pmid\/23793155&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS0907444913001108&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-119\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-119\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fisher, S. J.; Levik, K. E.; Williams, M. A.; Ashton, A. W.; McAuley, K. E. (1 June 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715004847\" target=\"_blank\">\"SynchWeb : a modern interface for ISPyB\"<\/a>. <i>Journal of Applied Crystallography<\/i> <b>48<\/b> (3): 927\u2013932. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1600576715004847\" target=\"_blank\">10.1107\/S1600576715004847<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1600-5767\" target=\"_blank\">1600-5767<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4453979\/\" target=\"_blank\">PMC4453979<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26089766\" target=\"_blank\">26089766<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715004847\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1600576715004847<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=SynchWeb+%3A+a+modern+interface+for+ISPyB&rft.jtitle=Journal+of+Applied+Crystallography&rft.aulast=Fisher&rft.aufirst=S.+J.&rft.au=Fisher%2C%26%2332%3BS.+J.&rft.au=Levik%2C%26%2332%3BK.+E.&rft.au=Williams%2C%26%2332%3BM.+A.&rft.au=Ashton%2C%26%2332%3BA.+W.&rft.au=McAuley%2C%26%2332%3BK.+E.&rft.date=1+June+2015&rft.volume=48&rft.issue=3&rft.pages=927%E2%80%93932&rft_id=info:doi\/10.1107%2FS1600576715004847&rft.issn=1600-5767&rft_id=info:pmc\/PMC4453979&rft_id=info:pmid\/26089766&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS1600576715004847&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-120\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-120\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">De Maria Antolinos, Alejandro; Pernot, Petra; Brennich, Martha E.; Kieffer, J\u00e9r\u00f4me; Bowler, Matthew W.; Delageniere, Solange; Ohlsson, Staffan; Malbet Monaco, Stephanie <i>et al.<\/i> (1 January 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1399004714019609\" target=\"_blank\">\"ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments\"<\/a>. <i>Acta Crystallographica Section D Biological Crystallography<\/i> <b>71<\/b> (1): 76\u201385. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS1399004714019609\" target=\"_blank\">10.1107\/S1399004714019609<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1399-0047\" target=\"_blank\">1399-0047<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4304688\/\" target=\"_blank\">PMC4304688<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25615862\" target=\"_blank\">25615862<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1399004714019609\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S1399004714019609<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=ISPyB+for+BioSAXS%2C+the+gateway+to+user+autonomy+in+solution+scattering+experiments&rft.jtitle=Acta+Crystallographica+Section+D+Biological+Crystallography&rft.aulast=De+Maria+Antolinos&rft.aufirst=Alejandro&rft.au=De+Maria+Antolinos%2C%26%2332%3BAlejandro&rft.au=Pernot%2C%26%2332%3BPetra&rft.au=Brennich%2C%26%2332%3BMartha+E.&rft.au=Kieffer%2C%26%2332%3BJ%C3%A9r%C3%B4me&rft.au=Bowler%2C%26%2332%3BMatthew+W.&rft.au=Delageniere%2C%26%2332%3BSolange&rft.au=Ohlsson%2C%26%2332%3BStaffan&rft.au=Malbet+Monaco%2C%26%2332%3BStephanie&rft.au=Ashton%2C%26%2332%3BAlun&rft.date=1+January+2015&rft.volume=71&rft.issue=1&rft.pages=76%E2%80%9385&rft_id=info:doi\/10.1107%2FS1399004714019609&rft.issn=1399-0047&rft_id=info:pmc\/PMC4304688&rft_id=info:pmid\/25615862&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS1399004714019609&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-121\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-121\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">CARPi, Nicolas; Minges, Alexander; Piel, Matthieu (14 April 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00146\" target=\"_blank\">\"eLabFTW: An open source laboratory notebook for research labs\"<\/a>. <i>The Journal of Open Source Software<\/i> <b>2<\/b> (12): 146. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21105%2Fjoss.00146\" target=\"_blank\">10.21105\/joss.00146<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2475-9066\" target=\"_blank\">2475-9066<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00146\" target=\"_blank\">http:\/\/joss.theoj.org\/papers\/10.21105\/joss.00146<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=eLabFTW%3A+An+open+source+laboratory+notebook+for+research+labs&rft.jtitle=The+Journal+of+Open+Source+Software&rft.aulast=CARPi&rft.aufirst=Nicolas&rft.au=CARPi%2C%26%2332%3BNicolas&rft.au=Minges%2C%26%2332%3BAlexander&rft.au=Piel%2C%26%2332%3BMatthieu&rft.date=14+April+2017&rft.volume=2&rft.issue=12&rft.pages=146&rft_id=info:doi\/10.21105%2Fjoss.00146&rft.issn=2475-9066&rft_id=http%3A%2F%2Fjoss.theoj.org%2Fpapers%2F10.21105%2Fjoss.00146&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-122\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-122\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bricogne, G\u00e9rard; Carter, Leigh; Flensburg, Claus; Fogh, Rasmus; Keller, Peter; Paciorek, Wlodek; Sharff, Andrew; Vonrhein, Clemens <i>et al.<\/i> (20 July 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108767318097519\" target=\"_blank\">\"Achieving higher performance in high-throughput compound and fragment screening campaigns by the use of 'Club Class' data collection with Pipedream and CRIMS\"<\/a>. <i>Acta Crystallographica Section A Foundations and Advances<\/i> <b>74<\/b> (a1): a248\u2013a248. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1107%2FS0108767318097519\" target=\"_blank\">10.1107\/S0108767318097519<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2053-2733\" target=\"_blank\">2053-2733<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108767318097519\" target=\"_blank\">https:\/\/scripts.iucr.org\/cgi-bin\/paper?S0108767318097519<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Achieving+higher+performance+in+high-throughput+compound+and+fragment+screening+campaigns+by+the+use+of+%27Club+Class%27+data+collection+with+Pipedream+and+CRIMS&rft.jtitle=Acta+Crystallographica+Section+A+Foundations+and+Advances&rft.aulast=Bricogne&rft.aufirst=G%C3%A9rard&rft.au=Bricogne%2C%26%2332%3BG%C3%A9rard&rft.au=Carter%2C%26%2332%3BLeigh&rft.au=Flensburg%2C%26%2332%3BClaus&rft.au=Fogh%2C%26%2332%3BRasmus&rft.au=Keller%2C%26%2332%3BPeter&rft.au=Paciorek%2C%26%2332%3BWlodek&rft.au=Sharff%2C%26%2332%3BAndrew&rft.au=Vonrhein%2C%26%2332%3BClemens&rft.au=Cornaciu%2C%26%2332%3BIrina&rft.date=20+July+2018&rft.volume=74&rft.issue=a1&rft.pages=a248%E2%80%93a248&rft_id=info:doi\/10.1107%2FS0108767318097519&rft.issn=2053-2733&rft_id=https%3A%2F%2Fscripts.iucr.org%2Fcgi-bin%2Fpaper%3FS0108767318097519&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-123\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-123\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Tremouilhac, Pierre; Nguyen, An; Huang, Yu-Chieh; Kotov, Serhii; L\u00fctjohann, Dominic Sebastian; H\u00fcbsch, Florian; Jung, Nicole; Br\u00e4se, Stefan (1 December 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0240-0\" target=\"_blank\">\"Chemotion ELN: an Open Source electronic lab notebook for chemists in academia\"<\/a> (in en). <i>Journal of Cheminformatics<\/i> <b>9<\/b> (1): 54. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs13321-017-0240-0\" target=\"_blank\">10.1186\/s13321-017-0240-0<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1758-2946\" target=\"_blank\">1758-2946<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5612905\/\" target=\"_blank\">PMC5612905<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29086216\" target=\"_blank\">29086216<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0240-0\" target=\"_blank\">https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-017-0240-0<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemotion+ELN%3A+an+Open+Source+electronic+lab+notebook+for+chemists+in+academia&rft.jtitle=Journal+of+Cheminformatics&rft.aulast=Tremouilhac&rft.aufirst=Pierre&rft.au=Tremouilhac%2C%26%2332%3BPierre&rft.au=Nguyen%2C%26%2332%3BAn&rft.au=Huang%2C%26%2332%3BYu-Chieh&rft.au=Kotov%2C%26%2332%3BSerhii&rft.au=L%C3%BCtjohann%2C%26%2332%3BDominic+Sebastian&rft.au=H%C3%BCbsch%2C%26%2332%3BFlorian&rft.au=Jung%2C%26%2332%3BNicole&rft.au=Br%C3%A4se%2C%26%2332%3BStefan&rft.date=1+December+2017&rft.volume=9&rft.issue=1&rft.pages=54&rft_id=info:doi\/10.1186%2Fs13321-017-0240-0&rft.issn=1758-2946&rft_id=info:pmc\/PMC5612905&rft_id=info:pmid\/29086216&rft_id=https%3A%2F%2Fjcheminf.biomedcentral.com%2Farticles%2F10.1186%2Fs13321-017-0240-0&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-124\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-124\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Ghedini, E.; 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Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=emmo-repo+%2F+EMMO&rft.atitle=GitHub&rft.aulast=Ghedini%2C+E.%3B+Friis%2C+J.%3B+Goldbeck%2C+G.+et+al.&rft.au=Ghedini%2C+E.%3B+Friis%2C+J.%3B+Goldbeck%2C+G.+et+al.&rft.date=2023&rft_id=https%3A%2F%2Fgithub.com%2Femmo-repo%2FEMMO&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-125\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-125\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ashino, Toshihiro (2010). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/datascience.codata.org\/articles\/abstract\/10.2481\/dsj.008-041\/\" target=\"_blank\">\"Materials Ontology: An Infrastructure for Exchanging Materials Information and Knowledge\"<\/a> (in en). <i>Data Science Journal<\/i> <b>9<\/b>: 54\u201361. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2481%2Fdsj.008-041\" target=\"_blank\">10.2481\/dsj.008-041<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1683-1470\" target=\"_blank\">1683-1470<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/datascience.codata.org\/articles\/abstract\/10.2481\/dsj.008-041\/\" target=\"_blank\">http:\/\/datascience.codata.org\/articles\/abstract\/10.2481\/dsj.008-041\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Materials+Ontology%3A+An+Infrastructure+for+Exchanging+Materials+Information+and+Knowledge&rft.jtitle=Data+Science+Journal&rft.aulast=Ashino&rft.aufirst=Toshihiro&rft.au=Ashino%2C%26%2332%3BToshihiro&rft.date=2010&rft.volume=9&rft.pages=54%E2%80%9361&rft_id=info:doi\/10.2481%2Fdsj.008-041&rft.issn=1683-1470&rft_id=http%3A%2F%2Fdatascience.codata.org%2Farticles%2Fabstract%2F10.2481%2Fdsj.008-041%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-126\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-126\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cheung, K.; Drennan, J.; Hunter, J. 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(1 February 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1532046410000341\" target=\"_blank\">\"NanoParticle Ontology for cancer nanotechnology research\"<\/a> (in en). <i>Journal of Biomedical Informatics<\/i> <b>44<\/b> (1): 59\u201374. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jbi.2010.03.001\" target=\"_blank\">10.1016\/j.jbi.2010.03.001<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3042056\/\" target=\"_blank\">PMC3042056<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/20211274\" target=\"_blank\">20211274<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1532046410000341\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1532046410000341<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NanoParticle+Ontology+for+cancer+nanotechnology+research&rft.jtitle=Journal+of+Biomedical+Informatics&rft.aulast=Thomas&rft.aufirst=Dennis+G.&rft.au=Thomas%2C%26%2332%3BDennis+G.&rft.au=Pappu%2C%26%2332%3BRohit+V.&rft.au=Baker%2C%26%2332%3BNathan+A.&rft.date=1+February+2011&rft.volume=44&rft.issue=1&rft.pages=59%E2%80%9374&rft_id=info:doi\/10.1016%2Fj.jbi.2010.03.001&rft_id=info:pmc\/PMC3042056&rft_id=info:pmid\/20211274&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1532046410000341&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-128\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-128\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hastings, Janna; Jeliazkova, Nina; Owen, Gareth; Tsiliki, Georgia; Munteanu, Cristian R; Steinbeck, Christoph; Willighagen, Egon (1 December 2015). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.jbiomedsem.com\/content\/6\/1\/10\" target=\"_blank\">\"eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment\"<\/a> (in en). <i>Journal of Biomedical Semantics<\/i> <b>6<\/b> (1): 10. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs13326-015-0005-5\" target=\"_blank\">10.1186\/s13326-015-0005-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2041-1480\" target=\"_blank\">2041-1480<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4374589\/\" target=\"_blank\">PMC4374589<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25815161\" target=\"_blank\">25815161<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.jbiomedsem.com\/content\/6\/1\/10\" target=\"_blank\">http:\/\/www.jbiomedsem.com\/content\/6\/1\/10<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=eNanoMapper%3A+harnessing+ontologies+to+enable+data+integration+for+nanomaterial+risk+assessment&rft.jtitle=Journal+of+Biomedical+Semantics&rft.aulast=Hastings&rft.aufirst=Janna&rft.au=Hastings%2C%26%2332%3BJanna&rft.au=Jeliazkova%2C%26%2332%3BNina&rft.au=Owen%2C%26%2332%3BGareth&rft.au=Tsiliki%2C%26%2332%3BGeorgia&rft.au=Munteanu%2C%26%2332%3BCristian+R&rft.au=Steinbeck%2C%26%2332%3BChristoph&rft.au=Willighagen%2C%26%2332%3BEgon&rft.date=1+December+2015&rft.volume=6&rft.issue=1&rft.pages=10&rft_id=info:doi\/10.1186%2Fs13326-015-0005-5&rft.issn=2041-1480&rft_id=info:pmc\/PMC4374589&rft_id=info:pmid\/25815161&rft_id=http%3A%2F%2Fwww.jbiomedsem.com%2Fcontent%2F6%2F1%2F10&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-129\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-129\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFLiArmientoLambrix2020\">Li, Huanyu; Armiento, Rickard; Lambrix, Patrick (2020), Pan, Jeff Z.; Tamma, Valentina; d\u2019Amato, Claudia <i>et al.<\/i>., eds., <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.springer.com\/10.1007\/978-3-030-62466-8_14\" target=\"_blank\">\"An Ontology for the Materials Design Domain\"<\/a> (in en), <i>The Semantic Web \u2013 ISWC 2020<\/i> (Cham: Springer International Publishing) <b>12507<\/b>: 212\u2013227, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-3-030-62466-8_14\" target=\"_blank\">10.1007\/978-3-030-62466-8_14<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-030-62465-1<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.springer.com\/10.1007\/978-3-030-62466-8_14\" target=\"_blank\">https:\/\/link.springer.com\/10.1007\/978-3-030-62466-8_14<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-11-07<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=An+Ontology+for+the+Materials+Design+Domain&rft.jtitle=The+Semantic+Web+%E2%80%93+ISWC+2020&rft.aulast=Li&rft.aufirst=Huanyu&rft.au=Li%2C%26%2332%3BHuanyu&rft.au=Armiento%2C%26%2332%3BRickard&rft.au=Lambrix%2C%26%2332%3BPatrick&rft.date=2020&rft.volume=12507&rft.pages=212%E2%80%93227&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-030-62466-8_14&rft.isbn=978-3-030-62465-1&rft_id=https%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-030-62466-8_14&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:12-130\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:12_130-0\">130.0<\/a><\/sup> <sup><a href=\"#cite_ref-:12_130-1\">130.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Li, Huanyu; Armiento, Rickard; Lambrix, Patrick (3 October 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/datascience.codata.org\/articles\/10.5334\/dsj-2019-050\/\" target=\"_blank\">\"A Method for Extending Ontologies with Application to the Materials Science Domain\"<\/a> (in en). <i>Data Science Journal<\/i> <b>18<\/b>: 50. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5334%2Fdsj-2019-050\" target=\"_blank\">10.5334\/dsj-2019-050<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1683-1470\" target=\"_blank\">1683-1470<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/datascience.codata.org\/articles\/10.5334\/dsj-2019-050\/\" target=\"_blank\">http:\/\/datascience.codata.org\/articles\/10.5334\/dsj-2019-050\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Method+for+Extending+Ontologies+with+Application+to+the+Materials+Science+Domain&rft.jtitle=Data+Science+Journal&rft.aulast=Li&rft.aufirst=Huanyu&rft.au=Li%2C%26%2332%3BHuanyu&rft.au=Armiento%2C%26%2332%3BRickard&rft.au=Lambrix%2C%26%2332%3BPatrick&rft.date=3+October+2019&rft.volume=18&rft.pages=50&rft_id=info:doi\/10.5334%2Fdsj-2019-050&rft.issn=1683-1470&rft_id=http%3A%2F%2Fdatascience.codata.org%2Farticles%2F10.5334%2Fdsj-2019-050%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-131\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-131\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lenz-Himmer, Maja-Olivia (27 April 2022) (in en). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/edoc.hu-berlin.de\/handle\/18452\/25237\" target=\"_blank\"><i>Towards Efficient Novel Materials Discovery<\/i><\/a>. Humboldt-Universit\u00e4t Zu Berlin, Humboldt-Universit\u00e4t Zu Berlin. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.18452%2F24340\" target=\"_blank\">10.18452\/24340<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/edoc.hu-berlin.de\/handle\/18452\/25237\" target=\"_blank\">https:\/\/edoc.hu-berlin.de\/handle\/18452\/25237<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Towards+Efficient+Novel+Materials+Discovery&rft.aulast=Lenz-Himmer&rft.aufirst=Maja-Olivia&rft.au=Lenz-Himmer%2C%26%2332%3BMaja-Olivia&rft.date=27+April+2022&rft_id=info:doi\/10.18452%2F24340&rft_id=https%3A%2F%2Fedoc.hu-berlin.de%2Fhandle%2F18452%2F25237&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-132\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-132\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kuban, Martin; Rigamonti, Santiago; Scheidgen, Markus; Draxl, Claudia (22 October 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41597-022-01754-z\" target=\"_blank\">\"Density-of-states similarity descriptor for unsupervised learning from materials data\"<\/a> (in en). <i>Scientific Data<\/i> <b>9<\/b> (1): 646. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41597-022-01754-z\" target=\"_blank\">10.1038\/s41597-022-01754-z<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9587991\/\" target=\"_blank\">PMC9587991<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36273207\" target=\"_blank\">36273207<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41597-022-01754-z\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41597-022-01754-z<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Density-of-states+similarity+descriptor+for+unsupervised+learning+from+materials+data&rft.jtitle=Scientific+Data&rft.aulast=Kuban&rft.aufirst=Martin&rft.au=Kuban%2C%26%2332%3BMartin&rft.au=Rigamonti%2C%26%2332%3BSantiago&rft.au=Scheidgen%2C%26%2332%3BMarkus&rft.au=Draxl%2C%26%2332%3BClaudia&rft.date=22+October+2022&rft.volume=9&rft.issue=1&rft.pages=646&rft_id=info:doi\/10.1038%2Fs41597-022-01754-z&rft.issn=2052-4463&rft_id=info:pmc\/PMC9587991&rft_id=info:pmid\/36273207&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41597-022-01754-z&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-133\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-133\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kuban, Martin; Gabaj, \u0160imon; Aggoune, Wahib; Vona, Cecilia; Rigamonti, Santiago; Draxl, Claudia (1 October 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.springer.com\/10.1557\/s43577-022-00339-w\" target=\"_blank\">\"Similarity of materials and data-quality assessment by fingerprinting\"<\/a> (in en). <i>MRS Bulletin<\/i> <b>47<\/b> (10): 991\u2013999. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1557%2Fs43577-022-00339-w\" target=\"_blank\">10.1557\/s43577-022-00339-w<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0883-7694\" target=\"_blank\">0883-7694<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.springer.com\/10.1557\/s43577-022-00339-w\" target=\"_blank\">https:\/\/link.springer.com\/10.1557\/s43577-022-00339-w<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Similarity+of+materials+and+data-quality+assessment+by+fingerprinting&rft.jtitle=MRS+Bulletin&rft.aulast=Kuban&rft.aufirst=Martin&rft.au=Kuban%2C%26%2332%3BMartin&rft.au=Gabaj%2C%26%2332%3B%C5%A0imon&rft.au=Aggoune%2C%26%2332%3BWahib&rft.au=Vona%2C%26%2332%3BCecilia&rft.au=Rigamonti%2C%26%2332%3BSantiago&rft.au=Draxl%2C%26%2332%3BClaudia&rft.date=1+October+2022&rft.volume=47&rft.issue=10&rft.pages=991%E2%80%93999&rft_id=info:doi\/10.1557%2Fs43577-022-00339-w&rft.issn=0883-7694&rft_id=https%3A%2F%2Flink.springer.com%2F10.1557%2Fs43577-022-00339-w&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-134\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-134\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/psi-k.net\/\" target=\"_blank\">\"Psi-k Network\"<\/a>. Psi-k Network<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/psi-k.net\/\" target=\"_blank\">https:\/\/psi-k.net\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 04 July 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Psi-k+Network&rft.atitle=&rft.pub=Psi-k+Network&rft_id=https%3A%2F%2Fpsi-k.net%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-135\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-135\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Olivetti, Elsa A.; Cole, Jacqueline M.; Kim, Edward; Kononova, Olga; Ceder, Gerbrand; Han, Thomas Yong-Jin; Hiszpanski, Anna M. (1 December 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.aip.org\/apr\/article\/7\/4\/041317\/832109\/Data-driven-materials-research-enabled-by-natural\" target=\"_blank\">\"Data-driven materials research enabled by natural language processing and information extraction\"<\/a> (in en). <i>Applied Physics Reviews<\/i> <b>7<\/b> (4): 041317. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1063%2F5.0021106\" target=\"_blank\">10.1063\/5.0021106<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1931-9401\" target=\"_blank\">1931-9401<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.aip.org\/apr\/article\/7\/4\/041317\/832109\/Data-driven-materials-research-enabled-by-natural\" target=\"_blank\">https:\/\/pubs.aip.org\/apr\/article\/7\/4\/041317\/832109\/Data-driven-materials-research-enabled-by-natural<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Data-driven+materials+research+enabled+by+natural+language+processing+and+information+extraction&rft.jtitle=Applied+Physics+Reviews&rft.aulast=Olivetti&rft.aufirst=Elsa+A.&rft.au=Olivetti%2C%26%2332%3BElsa+A.&rft.au=Cole%2C%26%2332%3BJacqueline+M.&rft.au=Kim%2C%26%2332%3BEdward&rft.au=Kononova%2C%26%2332%3BOlga&rft.au=Ceder%2C%26%2332%3BGerbrand&rft.au=Han%2C%26%2332%3BThomas+Yong-Jin&rft.au=Hiszpanski%2C%26%2332%3BAnna+M.&rft.date=1+December+2020&rft.volume=7&rft.issue=4&rft.pages=041317&rft_id=info:doi\/10.1063%2F5.0021106&rft.issn=1931-9401&rft_id=https%3A%2F%2Fpubs.aip.org%2Fapr%2Farticle%2F7%2F4%2F041317%2F832109%2FData-driven-materials-research-enabled-by-natural&rfr_id=info:sid\/en.wikipedia.org:Journal:Shared_metadata_for_data-centric_materials_science\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. Several inline URLs from the original were turned into full citations for this version. The original didn't state what <i>GW<\/i> was; for this version, an explanation and citation was given for clarity. The URL to the EMMC and EMMO website was broken when adding this to LIMSwiki; an archived URL was used in its place.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104140815\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 2.589 seconds\nReal time usage: 2.886 seconds\nPreprocessor visited node count: 138992\/1000000\nPost\u2010expand include size: 1237240\/2097152 bytes\nTemplate argument size: 366282\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 330362\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 2206.918 1 -total\n 91.29% 2014.759 1 Template:Reflist\n 75.36% 1663.051 135 Template:Citation\/core\n 69.86% 1541.764 114 Template:Cite_journal\n 12.56% 277.096 131 Template:Date\n 8.18% 180.550 252 Template:Citation\/identifier\n 5.95% 131.358 14 Template:Cite_web\n 3.19% 70.492 5 Template:Citation\n 2.79% 61.642 504 Template:Hide_in_print\n 2.44% 53.865 144 Template:Citation\/make_link\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14463-0!canonical!math=5 and timestamp 20240104140812 and revision id 53377. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Shared_metadata_for_data-centric_materials_science\">https:\/\/www.limswiki.org\/index.php\/Journal:Shared_metadata_for_data-centric_materials_science<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","0cf46ecff7f5e6b237b97e90c9676863_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/0\/04\/Fig1_Ghiringhelli_SciData23_10.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/4b\/List1_Ghiringhelli_SciData23_10.png"],"0cf46ecff7f5e6b237b97e90c9676863_timestamp":1704389297,"cf0fc8c408f510ef1d412d315a3bab7f_type":"article","cf0fc8c408f510ef1d412d315a3bab7f_title":"Thirty years of the DICOM standard (Larobina 2023)","cf0fc8c408f510ef1d412d315a3bab7f_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Thirty_years_of_the_DICOM_standard","cf0fc8c408f510ef1d412d315a3bab7f_plaintext":"\n\nJournal:Thirty years of the DICOM standardFrom LIMSWikiJump to navigationJump to searchFull article title\n \nThirty years of the DICOM standardJournal\n \nTomographyAuthor(s)\n \nLarobina, MicheleAuthor affiliation(s)\n \nConsiglio Nazionale delle RicerchePrimary contact\n \nEmail: michele dot larobina at cnr dot itYear published\n \n2023Volume and issue\n \n9(5)Page(s)\n \n1829-1838DOI\n \n10.3390\/tomography9050145ISSN\n \n2379-139XDistribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.mdpi.com\/2379-139X\/9\/5\/145Download\n \nhttps:\/\/www.mdpi.com\/2379-139X\/9\/5\/145\/pdf?version=1696571652 (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Not only pixels: The power of metadata in medical images \n4 Rules and tools for the exchange of medical images and related information \n5 DICOM\u2019s strengths and weaknesses \n\n5.1 Conformance (the DICOM philosophy) \n5.2 Private tags \n5.3 Data protection (privacy) \n5.4 Quantitative image analysis \n\n\n6 Conclusions and future directions \n7 Abbreviations, acronyms, and initialisms \n8 Acknowledgements \n\n8.1 Funding \n8.2 Conflicts of interest \n\n\n9 References \n10 Notes \n\n\n\nAbstract \nDigital Imaging and Communications in Medicine (DICOM) is an international standard that defines a format for storing medical images and a protocol to enable and facilitate data communication among medical imaging systems. The DICOM standard has been instrumental in transforming the medical imaging world over the last three decades. Its adoption has been a significant experience for manufacturers, healthcare users, and research scientists. In this review, 30 years after introducing the standard, we discuss the innovation, advantages, and limitations of adopting DICOM and its possible future directions.\nKeywords: DICOM, metadata, file formats, communication protocols, quantitative imaging\n\nIntroduction \nStandardization is a key concept in the digital imaging world. The absence of a standard limits the usability and sharing of medical images. It forces users to deal with a multitude of data formats and to convert data from one format to another. Moreover, any image file, in addition to pixel data, contains metadata. Metadata is data describing the image and plays a non-secondary role in digital imaging. While general-purpose image format metadata can be limited to the description of the pixel matrix, in formats for scientific applications metadata can describe the subject, the instrumentation set-up, the image acquisition parameters, and any other element of interest related to the imaging workflow. Despite this, the power of metadata is most often underestimated and consequently unexpressed. A standard helps in defining the metadata section for the correct use and interpretation of the image itself.\nThe field of medical imaging is exemplary in the context of standardization processes for pioneering vision and for having created a long-lived and appreciated standard. In the early 1980s, an association of users and professionals of the healthcare sector, the American College of Radiology (ACR), jointly with the National Association of Electronic Manufacturers (NEMA), started to define a new standard for the encoding and exchange of digital medical images. In 1993, the ACR-NEMA committee presented Digital Imaging and Communications in Medicine (DICOM) as a standard with more functionality and long-term vision than the previous standardization attempts known as ACR-NEMA 1.0 (1985) and 2.0 (1988).[1][2][3][4][5][6][7] For its time, DICOM represented an authentic novelty. Before the introduction of the DICOM standard, and therefore, until the first half of the 1990s, the medical imaging world saw diagnostic modalities, even within the same department, very confined to their rooms. The images were generally printed to film to be interpreted by the radiologist. In a native digital format, images were viewed and processed on the modality console and rarely exported to different workstations. Medical imaging systems were not connected to each other except for some dedicated point-to-point connections. Image transfer between modalities and image processing workstation, both inside and outside an imaging department, took place mainly through removable media with an important limitation: the absence of a common file format and the unknown of correctly reading the removable media storage (typically a magneto-optical disks or a tape). Therefore, the usability of the images remained linked to the availability of software for reading proprietary image formats and the media themselves. (A complete overview of the old proprietary file formats can be found on the David Clunie Medical Image Formats website.[8]) The DICOM international standard was conceived to overcome the limitations imposed by proprietary architectures and data formats and to allow and promote communication among medical imaging devices using the same network infrastructures of internet-enabled computer networks. \nWith its conception, the novelties of the DICOM standard were:\n\nTo state that in medicine the standardization of image format and image-related information, as well as their communication over a network, is essential;\nTo remark that, for medical images, metadata is as important as pixel data; and\nTo be general enough to cover almost every medical imaging modality and flexible enough to follow their evolution over time.\nFirst developed for radiology and then cardiology departments, the DICOM standard has evolved over the years to support various other branches of medical imaging well beyond radiology, such as dermatology and ophthalmology, with the objective to encompass almost all modalities of imaging-based medicine. There are approximately 80 modalities defined by the standard today. DICOM is also the current standard for radiation therapy in the so-called second-generation radiotherapy after a complete revision in 2014. DICOM also supports data exchange of time-based signals or waveforms, such as those generated in clinical neurophysiology, which include, among others, electrocardiograms (ECGs) and electroencephalography (EEG). In more recent times, the DICOM standard has been proposed for digital pathology. The adoption of the standard in this area would favor the integration of clinical imaging and laboratory medicine.[9][10][11] DICOM does not limit its action to images and associated information originating directly from medical devices. It defines mechanisms for archiving and sharing quantitative derived images, image-derived data, annotations, and reports.\nDICOM is a constantly evolving standard and is revised five times a year with contributions from the numerous DICOM working groups divided by fields of application and imaging modalities.[12] However, DICOM only provides recommendations and no accompanying software. Despite this, the availability of some high-quality open-source software libraries and utilities in several programming languages\u2014such as DCMTK (C and C++), DCM4CHE (Java), and PyDICOM (Python)[13][14][15]\u2014has helped in spreading and affirming the standard.\nThis article presents an overview of the DICOM standard, covering its fundamental principles and concepts. It also explores the advantages and limitations of the standard while outlining some potential future developments. Throughout this document, all references to the DICOM standard in sections, figures, and tables refer to the 2023b edition.\n\nNot only pixels: The power of metadata in medical images \nMedical images must be standardized in a format that can be stored, shared, and used effectively. Therefore, a standard must necessarily deal with metadata as well. The DICOM standard aims to establish a reliable format for medical images and associated information. One of the most significant advancements of the DICOM image format is its metadata formulation, which provides an accurate and detailed description of the subject and procedure used to generate the image. The standard emphasizes that metadata is essential for the full use of medical investigation for clinical, management, and research purposes, establishing the non-divisibility of the pixel data from the metadata. Each DICOM image consists of metadata and pixel data embedded in a single file so that, as the standard institutional website remarks, \u201cthe image can never be separated from this information by mistake.\u201d\nKnowing how a medical image has been generated from the diagnostic modalities is extremely helpful. For example, a nuclear medicine image will contain information about the injected radiopharmaceutical, injection time, acquisition start time, and end time. An X-ray computed tomography image will contain information about the X-ray tube voltage and current, exposure time, slice thickness, etc. This kind of data are consistently included in the metadata of every DICOM image. To understand the structure of a DICOM metadata section, remember that the standard describes real-world entities, such as patients, studies, diagnostic modalities, and images, in terms of objects and relationships that may occur between them (the so-called entity-relationship model). It is a high level of abstraction that has helped make the DICOM a complex format. Objects are defined in a standard way through groups of attributes describing them in detail. As a result, DICOM needs to store many attributes (Figure 1) to guarantee a comprehensive depiction of the imaging process.\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 1 DICOM image metadata contains detailed information to identify and describe the main entities of the imaging workflow: Patient, Study, Series, and Images. The Patient data section essentially includes a unique patient identifier, the patient\u2019s name, date of birth, sex, and data such as the patient\u2019s weight, which is required to normalize voxel values by body weight as in the case of standardized uptake value (SUV) in PET. The Study section includes a unique identifier, the study date and time, the study description, the Institution name, the referring physicians, etc. The Series section will contain a unique identifier, the body part examined, the field of view, and data related to the imaging modality, such as acquisition protocol and scanning parameters, as well as the manufacturer name, the model, and the software of the equipment used. Finally, the Image section will contain a description of the pixel data necessary for the correct loading and display of the image: rows, columns, samples per pixel, bit depth, photometric interpretation, pixel size, etc.\n\n\n\nHow is the metadata section populated? There are attributes set during the installation\/configuration of the imaging modality (mainly related to the hardware and software of the system, the institution name, etc.), attributes automatically exchanged with the hospital information system (HIS)\/radiology information system (RIS) of the department, attributes specified by the acquisition procedure selected for the examination, etc.\nIn a DICOM file, each attribute is identified by a unique tag consisting of two hexadecimal numbers. The first represents the group and the second represents the element. For example, the tag for the modality is (0008, 0060).\nDICOM attributes are logically grouped into modules to identify and describe real-world objects. Modules are presented in standard documents in the form of tables. Modules store the name, tag, definition, and type of the attributes and can hold attributes from various groups. There are modules common to multiple imaging modalities and others specific to one modality, as outlined in Annex C.7 and C.8 of the PS 3.3 standard document (Table 1). Groups of attributes repeated across multiple modules are called \"macros.\" The DICOM data dictionary (PS 3.6) contains all the attributes defined and described in the standard, known as public data elements. Metadata can also include manufacturer-specific attributes known as \"private data elements\" for which there is no description and are not part of the data dictionary. It is important to note that private data elements are assigned an odd group number, whereas public data elements always have an even group number. The number of data elements present in a DICOM file, both public and private, is generally variable. A specific tag indicates the start of the pixel data and hence the end of the metadata section.\n\n\n\n\n\n\n\nTable 1. Summary of the modules defined in the DICOM standard document PS 3.3\u2014Annex C7 and C8. The list of modality-specific modules has been truncated for brevity; there are approximately 80 modalities defined by the standard, each with its own separate module.\n\n\nC.7. Common Composite Image Information Object Definition (IOD) Modules\n\nC.8. Modality-Specific Modules\n\n\nC.7.1. Common Patient IE Modules\r\nC.7.2. Common Study IE Modules\r\nC.7.3. Common Series IE Modules\r\nC.7.4. Common Frame of Reference IE Modules\r\nC.7.5. Common Equipment IE Modules\r\nC.7.6. Common Image IE Modules\r\nC.7.7. (Retired) Patient Summary Module\r\nC.7.8. (Retired) Study Content Module\r\nC.7.9. Palette Color Lookup Table Module\r\nC.7.10. Common Acquisition IE Modules\r\nC.7.11. Common Multi-Resolution Pyramid IE Modules\n\nC.8.1. Computed Radiography Modules\r\nC.8.2. CT Modules\r\nC.8.3. MR Modules\r\nC.8.4. Nuclear Medicine Modules\r\nC.8.5. Ultrasound Modules\r\nC.8.6. Secondary Capture Modules\r\nC.8.7. X-ray Modules\r\nC.8.8. Radiotherapy Modules\r\nC.8.9. PET Modules\r\n\u2026\r\nC.8.32. Parametric Map\r\nC.8.33. Tractography Results Modules\n\n\n\nRegarding the DICOM pixel data section, the support for floating point values (single precision 32-bit and double precision 64-bit) is limited to radiation dose values in radiotherapy and, more recently, to parametric maps defined as images in which the pixel values have been derived from the value stored by the modality to be the expression of a physical quantity. In all the other cases, DICOM pixel values can only be integers. DICOM uses a scale factor whenever the values stored in each voxel need to be scaled to different units. This is achieved through two fields specified in the metadata defining the slope and the intercept of the linear transformation to be used to convert pixel values to real-world values.\n\nRules and tools for the exchange of medical images and related information \nBeyond a standardized file format for medical images and associated information, the DICOM standard provides a communication protocol to easily share images in a vendor-independent manner. Protocols are defined by Tim Berners-Lee, one of the creators of the World Wide Web, as simple rules for global systems.[16] This definition is both brief and impactful.\nThe purpose of the DICOM protocol is to establish communication between diagnostic and sometimes therapy systems of different manufacturers and display, storage, and management devices on a network. The introduction of the DICOM standard marks the beginning of a revolution similar to the introduction of computer networks: no more separate diagnostic equipment, but diagnostic systems, and in some cases of therapy, processing\/display and reporting stations that can be connected together and that can share images and related data, storage devices and printers. To realize this objective, the DICOM standard provides an upper-layer protocol that runs over the well-established internet standard protocol TCP\/IP. Any DICOM-compliant device attached to the network is an Application Entity identified, in addition to the TCP\/IP parameters (IP address, subnet mask, and port number) by a 16-character identification code called \u201cApplication Entity Title.\u201d Application Entities can exchange services among themselves according to the client-server model that DICOM renames \"Service\/Provider\"; the requestor of a service is called a \"Service Class User,\" while the provider is called a \"Service Class Provider.\" Depending on the service, a DICOM node can act as a user or provider. Establishing an association involves a negotiation phase during which the service to be exchanged and the role played by each node is established. Next, the transfer syntax for the data exchange is decided, the connection is established, and the data transfer takes place. The main services available on a DICOM network are:\n\nStorage: This service is required to archive images across a network. Typically, it is used by an acquisition modality to send images to a picture archiving and communication system (PACS) or a storage server.\nStorage Commitment: This is an enhanced version of the Storage service with in addition a message sent by the storage provider to the user to confirm that \u201carchiving was successful,\u201d so that the user can safely delete the images locally.\nPrint: This service prints images from an acquisition modality or a display station.\nQuery\/Retrieve: This service enables nodes on the DICOM network to query a PACS or another storage unit in order to know the list of images available on it and then to retrieve them.\nModality Worklist: This service manages the list of exams to be acquired for each patient. Each examination of the list is scheduled and its completion is made known to the system that updates the data. It is only possible in departments equipped with a computerized reservation\/acceptance system (HIS\/RIS) integrated into the DICOM network.\nRecently, DICOM has added a protocol called DICOMweb built on top of the HyperText Transfer Protocol (HTTP) for using services via the web.[17][18][19][20] DICOMweb enables query, retrieval, storage, and worklist services. DICOM images can be retrieved traditionally as binary objects containing metadata and pixel data or with metadata in JavaScript Object Notation (JSON) or Extensible Markup Language (XML) and pixel data as DICOM bulk data or, optionally, in a format suitable to be directly displayed in a web browser (JPEG).\nIn addition to the storage of images through a network, the DICOM standard specifies how to standardize image storage on removable physical media such as CD\/DVD\/Blue-ray discs, magneto-optical discs, USB-connected removable devices, and compact-flash removable devices (DICOM PS 3.12). In this way, the interoperability is extended and ensured even when the image exchange takes place through removable supports. To store DICOM images on physical supports, the standard prescribes a flat-file organization consisting of a folder that serves as a container for the patient\u2019s images, along with a DICOMDIR file. DICOMDIR contains the association between image files and the patient study-series information for all the DICOM files on the media. DICOMDIR is not human-readable as it is a binary file in DICOM format, so a software utility is necessary to read it. Figure 2 shows the DICOMDIR concept schematically.\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 2 On the left, the DICOMDIR flat image files organization in the case of a patient who underwent a whole-body PET\/CT diagnostic study. On the right, the corresponding image file organization using the hierarchical folder tree option (patient-study-series) in the OsiriX Viewer export utility. The PET study was reconstructed with and without attenuation correction (AC). According to the standard, DICOMDIR image filenames are no more than eight characters without any extension.\n\n\n\n DICOM\u2019s strengths and weaknesses \nDICOM is a complex standard designed to offer maximum flexibility, with the ambition to virtually embrace almost all medical imaging modalities. The adoption of the DICOM standard has greatly improved the access, exchange, and usability of medical images. Today, PACS, RIS, and HIS are critical components of every imaging department, and their existence relies on DICOM. The power of metadata in medical imaging has been for a long time underestimated and consequently unexpressed. Thanks to DICOM, clinicians and researchers recognized, after an initial slow acknowledgment phase, that metadata are not only helpful but essential for a better understanding and management of the images. DICOM confirmed the assumption that metadata is as important as pixel data. The adoption of DICOM also encouraged and facilitated data exchange between researchers, creating added value for research. The DICOM standard also has a primary role in the emerging field of enterprise imaging, whose ultimate goal is to connect as many technologies as possible in a collaborative workflow in order to provide added value for the electronic health record (EHR).[21][22]\n\n Conformance (the DICOM philosophy) \nIt is essential to understand that compliance with the DICOM standard is voluntary. The standards body publishes the recommendations, leaving the manufacturers free to implement or not some aspect of the standard, with the only duty being to the user to declare it in a conformance statement. There is no certification or validation mechanism to verify compliance. This extreme flexibility ended up creating problems due to a consequent variability between the implementations of the various vendors, which led to a decrement in the level of interoperability between imaging systems and between imaging systems and PACS, especially in the earlier implementation of the standard.\nStandards prescribe rules, but it is important to acknowledge that not all vendors, programmers, and researchers may consistently follow all suggested rules. Additionally, errors may occur due to the intricate nature of the standard.\nIt is clear that having a software tool to easily verify compliance with a standard is a helpful way to support and speed up the assertion of the standard itself. Such a test and validation tool becomes even more necessary as the complexity of the standard increases.\n\nPrivate tags \nThe presence in the metadata of private tags identifying private data elements is another peculiar aspect of the standard. As reported in Clunie et al.[23], \u201cprivate data are data elements that the DICOM standard allows to be included, but whose meaning and encoding are not defined by the standard itself.\u201d It is not difficult to understand that the use of proprietary data can create troubles besides appearing contradictory for an open standard. The DICOM standard considers private data necessary because manufacturers may need to codify and include in the imaging process description parameters or information not yet contemplated by the standard (PS 3.5\u2014Section 7.8), as can be, for example, those related to innovative technological solutions adopted by instruments they produce. It is, therefore, a guarantee of maximum flexibility that the standard offers to the manufacturers and belongs to the long-term vision of the standard. This is the theory because, in practice, there are manufacturers who make excessive use of private tags, using them despite the existence of public tags intended to hold the same information.[24][25][26][27] Indeed, the use of private data could be better regulated and documented. Their overuse could have been classified as violating the standard without harming the trade-secret protection or affecting the generality of the standard. Unfortunately, the DICOM standard has not foreseen limitations for private tags, leaving the matter to be regulated based on the relationship between customers and device vendors.\n\n Data protection (privacy) \nAnother issue connected to the adoption of the DICOM standard is that a metadata section rich in information with explicit reference to patients\u2019 personal data poses a privacy problem every time the images are viewed or exported outside of the structure where they were acquired and reported. It is recommended to anonymize DICOM images before transmitting them externally. However, it is common experience, especially in the post-processing field, that sometimes anonymized images do not work while native ones do. This may be because certain processing software uses private information for measurements and calculations. Tools for de-identification\/anonymization are numerous, but it is always necessary to carefully select the options that the de-identification software provides, limiting the fields that are overwritten (cleaned) and retaining whenever possible private tags even in the anonymized version as they could contain essential information for image analysis. The DICOM standard recently published a list of \u201cknown to be safe\u201d private tags (PS 3.15 Annex E), which is a good practice to keep in the de-identification process.[23]\nNevertheless, the goal of de-identification is not straightforward due to the need to satisfy privacy regulations on the one hand and the capability to have a fully functional anonymized DICOM on the other. These difficulties have complicated data sharing between working and research groups and limited the creation of public databases containing DICOM images.[28][29]\n\nQuantitative image analysis \nThe primary focus of the DICOM standard is within the clinical domain. The DICOM file format was not designed with image post-processing as an application. As an image format, DICOM is used by vendor-supplied quantitative processing tools, by groups that have developed their own software and are familiar with the standard, and whenever the processing relies entirely on a single software application that is compatible with DICOM. In other cases, researchers and programmers prefer to work with alternative formats, starting the post-processing pipeline by converting DICOM images into the format of choice for their research project[30]; then, they do not consider the DICOM format for encoding their analysis results, though, in recent years, software tools have been made available to the research community to facilitate the translation of the results of their analysis back into the DICOM format.[31][32] DICOM remains the reference for the information reported in the metadata section. Cases in which metadata does not completely match researchers\u2019 expectations are still encountered. Critical issues have been highlighted in magnetic resonance imaging (MRI), particularly for perfusion and diffusion studies. Commonly reported issues about metadata are, among others, an insufficient detail of information, not mandatory public attributes of interest, and the use of private tags to contain parameters essential for quantitation.[24][26][33] The lack of response to these needs has encouraged the development of alternative standards, such as the Brain Imaging Data Structure (BIDS)[34], that may not have been born if DICOM had shown greater openness towards the research world.\nComputerized image analyses and processing may have even more relevance in the coming years due to the contribution that artificial intelligence (AI) techniques are expected to have. From a predominantly research-based activity separated from the clinical domain, image processing will be in the future increasingly integrated into clinical practice.\nThe DICOM standard has already developed tools to support quantitative imaging. Among these are Parametric Maps for storing images quantitatively derived from acquired images, DICOM Segmentation for the saving of segmentation results in terms of images, Structured Reports and Annotations for the encoding of image-derived associated data as volumes of segmented regions, measurements for cancer lesions characterization, etc. These DICOM tools still have limited support and adoption and might form the basis for future expansions of the standard. Undoubtedly, the support for image processing and the integration of image analysis results into PACS systems or enterprise image archives is a major challenge for the DICOM standard in the next decade.\n\nConclusions and future directions \nDICOM demonstrates the positive influence and added value that a standard can have in a specific field. However, there is no standard for all areas of scientific imaging. For example, there is no single standard for biological image data despite numerous attempts to develop and adopt a standard. One of the first microscopy data formats, the Image Cytometry Standard (ICS), released in 1990[35], was inspired by the work of the ACR-NEMA consortium and shows similarity to the Interfile format developed in the same years for nuclear medicine diagnostic images.[36] More recently, the Open Microscopy Environment Consortium (OME) first proposed a modified version of the well-known Tagged Image File Format (TIFF) with an enriched metadata section encoded in XML (OME-TIFF)[37], and then, in an attempt to have a more complete and powerful format, proposed its successor, the OME-Zarr.[38] The DICOM standard has also focused on the histopathology whole slide imaging application. It was chosen as the format for the Imaging Data Common project, a cloud-based imaging data science platform for cancer studies started by the U.S. National Cancer Institute (NCI).[39] Other formats have been developed and successfully established in specific fields, such as the MRC format for cryo-electron microscopy[40] and the imzML format for mass spectroscopy images.[41] Unfortunately, none of the proposed standards have been affirmed except for some specific fields, and vendor proprietary formats are still in use.\nThe possibilities for the affirmation of a standard lie in the convergence between industry and the scientific community. Sometimes, standards have been proposed by the scientific community but then have failed to establish themselves, probably because the industries of the sector have not recognized the advantages of a single standard to justify an investment or a change in the company policy on the subject.\nThe field of medical imaging is exemplary in the standardization processes for the pioneering vision and longevity of its standard promoted at the end of 1980. This experience highlights that the opportunity to have a standard should not be underestimated. Beyond revolutionizing the clinical practice, the DICOM standard has encouraged and facilitated data exchange between researchers, creating added value for research. We think adopting a standard in other imaging-based contexts could also have a similar positive impact.\nToday, it is impossible to imagine an imaging department without DICOM. However, after 30 years, the time is ripe to review some of the initial directives. A modern standard should anticipate innovation, not just follow it. Overall, DICOM should recover the initial long-term vision that allowed it to propose solutions ahead of time. Through experience, it has become clear that there are areas in which the DICOM standard could be further improved, including simplifying and clarifying the documentation, limiting and regulating private tags, increasing the support for research and quantitative image processing, and strengthening privacy protection procedures. Additionally, the development and use of validation tools should be encouraged to minimize non-standard implementations.\n\n Abbreviations, acronyms, and initialisms \nACR: American College of Radiology\nAI: artificial intelligence\nBIDs: Brain Imaging Data Structure\nCT: computed tomography\nDICOM: Digital Imaging and Communications in Medicine\nECG: electrocardiogram\nEEG: electroencephalography\nHIS: hospital information system\nHTTP: HyperText Transfer Protocol\nICS: Image Cytometry Standard\nIE: information entity\nIOD: Information Object Definition\nJSON: JavaScript Object Notation\nMRI: magnetic resonance imaging\nNCI: National Cancer Institute\nNEMA: National Electrical Manufacturers Association\nOME: Open Microscopy Environment\nPACS: picture archiving and communication system\nPET: positron emission tomography\nRIS: radiology information system\nSUV: standardized uptake value\nTIFF: Tagged Image File Format\nTCP\/IP: Transmission Control Protocol\/Internet Protocol\nXML: eXtensible Markup Language\nAcknowledgements \nFunding \nThis research received no external funding.\n\nConflicts of interest \nThe author declares no conflict of interest.\n\nReferences \n\n\n\u2191 Medical Imaging Technology Association. \"DICOM\". https:\/\/www.dicomstandard.org\/ . 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PMID 22038512. http:\/\/link.springer.com\/10.1007\/s10278-011-9422-x .   \n \n\n\u2191 Moore, Stephen M.; Maffitt, David R.; Smith, Kirk E.; Kirby, Justin S.; Clark, Kenneth W.; Freymann, John B.; Vendt, Bruce A.; Tarbox, Lawrence R. et al. (1 May 2015). \"De-identification of Medical Images with Retention of Scientific Research Value\" (in en). RadioGraphics 35 (3): 727\u2013735. doi:10.1148\/rg.2015140244. ISSN 0271-5333. PMC PMC4450976. PMID 25969931. http:\/\/pubs.rsna.org\/doi\/10.1148\/rg.2015140244 .   \n \n\n\u2191 Larobina, Michele; Murino, Loredana (1 April 2014). \"Medical Image File Formats\" (in en). Journal of Digital Imaging 27 (2): 200\u2013206. doi:10.1007\/s10278-013-9657-9. ISSN 0897-1889. PMC PMC3948928. PMID 24338090. http:\/\/link.springer.com\/10.1007\/s10278-013-9657-9 .   \n \n\n\u2191 Fedorov, Andriy; Clunie, David; Ulrich, Ethan; Bauer, Christian; Wahle, Andreas; Brown, Bartley; Onken, Michael; Riesmeier, J\u00f6rg et al. (24 May 2016). \"DICOM for quantitative imaging biomarker development: a standards based approach to sharing clinical data and structured PET\/CT analysis results in head and neck cancer research\" (in en). PeerJ 4: e2057. doi:10.7717\/peerj.2057. ISSN 2167-8359. PMC PMC4888317. PMID 27257542. https:\/\/peerj.com\/articles\/2057 .   \n \n\n\u2191 Bridge, Christopher P.; Gorman, Chris; Pieper, Steven; Doyle, Sean W.; Lennerz, Jochen K.; Kalpathy-Cramer, Jayashree; Clunie, David A.; Fedorov, Andriy Y. et al. (1 December 2022). \"Highdicom: a Python Library for Standardized Encoding of Image Annotations and Machine Learning Model Outputs in Pathology and Radiology\" (in en). Journal of Digital Imaging 35 (6): 1719\u20131737. doi:10.1007\/s10278-022-00683-y. ISSN 0897-1889. PMC PMC9712874. PMID 35995898. https:\/\/link.springer.com\/10.1007\/s10278-022-00683-y .   \n \n\n\u2191 Larobina, M. (2003). \"The DICOM File Format : Postprocessing Features in MRI\". Physica medica : European Journal of Medical Physics (4). doi:10.1400\/19277. https:\/\/doi.org\/10.1400\/19277 .   \n \n\n\u2191 Gorgolewski, Krzysztof J.; Auer, Tibor; Calhoun, Vince D.; Craddock, R. Cameron; Das, Samir; Duff, Eugene P.; Flandin, Guillaume; Ghosh, Satrajit S. et al. (21 June 2016). \"The brain imaging data structure, a format for organizing and describing outputs of neuroimaging experiments\" (in en). Scientific Data 3 (1): 160044. doi:10.1038\/sdata.2016.44. ISSN 2052-4463. PMC PMC4978148. PMID 27326542. https:\/\/www.nature.com\/articles\/sdata201644 .   \n \n\n\u2191 Dean, Phillip; Mascio, Laura; Ow, David; Sudar, Damir; Mullikin, James (1990). \"Proposed standard for image cytometry data files\" (in en). Cytometry 11 (5): 561\u2013569. doi:10.1002\/cyto.990110502. ISSN 0196-4763. https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cyto.990110502 .   \n \n\n\u2191 Cradduck, T. D.; Bailey, D. L.; Hutton, B. F.; Conninck, F. De; Busemann-Sokole, E.; Bergmann, H.; Noelpp, U. (1 October 1989). \"A standard protocol for the exchange of nuclear medicine image files:\" (in en). Nuclear Medicine Communications 10 (10): 703\u2013714. doi:10.1097\/00006231-198910000-00002. ISSN 0143-3636. http:\/\/journals.lww.com\/00006231-198910000-00002 .   \n \n\n\u2191 Goldberg, Ilya G; Allan, Chris; Burel, Jean-Marie; Creager, Doug; Falconi, Andrea; Hochheiser, Harry; Johnston, Josiah; Mellen, Jeff et al. (2005). \"[No title found\"]. Genome Biology 6 (5): R47. doi:10.1186\/gb-2005-6-5-r47. PMC PMC1175959. PMID 15892875. http:\/\/genomebiology.biomedcentral.com\/articles\/10.1186\/gb-2005-6-5-r47 .   \n \n\n\u2191 Moore, Josh; Basurto-Lozada, Daniela; Besson, S\u00e9bastien; Bogovic, John; Bragantini, Jord\u00e3o; Brown, Eva M.; Burel, Jean-Marie; Casas Moreno, Xavier et al. (1 September 2023). \"OME-Zarr: a cloud-optimized bioimaging file format with international community support\" (in en). Histochemistry and Cell Biology 160 (3): 223\u2013251. doi:10.1007\/s00418-023-02209-1. ISSN 0948-6143. PMC PMC10492740. PMID 37428210. https:\/\/link.springer.com\/10.1007\/s00418-023-02209-1 .   \n \n\n\u2191 Fedorov, Andrey; Longabaugh, William J.R.; Pot, David; Clunie, David A.; Pieper, Steve; Aerts, Hugo J.W.L.; Homeyer, Andr\u00e9; Lewis, Rob et al. (15 August 2021). \"NCI Imaging Data Commons\" (in en). Cancer Research 81 (16): 4188\u20134193. doi:10.1158\/0008-5472.CAN-21-0950. ISSN 0008-5472. PMC PMC8373794. PMID 34185678. https:\/\/aacrjournals.org\/cancerres\/article\/81\/16\/4188\/670283\/NCI-Imaging-Data-CommonsNCI-Imaging-Data-Commons .   \n \n\n\u2191 Cheng, Anchi; Henderson, Richard; Mastronarde, David; Ludtke, Steven J.; Schoenmakers, Remco H.M.; Short, Judith; Marabini, Roberto; Dallakyan, Sargis et al. (1 November 2015). \"MRC2014: Extensions to the MRC format header for electron cryo-microscopy and tomography\" (in en). Journal of Structural Biology 192 (2): 146\u2013150. doi:10.1016\/j.jsb.2015.04.002. PMC PMC4642651. PMID 25882513. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S104784771500074X .   \n \n\n\u2191 Schramm, Thorsten; Hester, Zo\u00eb; Klinkert, Ivo; Both, Jean-Pierre; Heeren, Ron M.A.; Brunelle, Alain; Lapr\u00e9vote, Olivier; Desbenoit, Nicolas et al. (1 August 2012). \"imzML \u2014 A common data format for the flexible exchange and processing of mass spectrometry imaging data\" (in en). Journal of Proteomics 75 (16): 5106\u20135110. doi:10.1016\/j.jprot.2012.07.026. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1874391912005568 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation, spelling, and grammar. In some cases important information was missing from the references, and that information was added. The original put information into a Table 2 that didn't need to be in a table; it was made into a bulleted list for this version.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Thirty_years_of_the_DICOM_standard\">https:\/\/www.limswiki.org\/index.php\/Journal:Thirty_years_of_the_DICOM_standard<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on imaging informaticsLIMSwiki journal articles on standardsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 9 October 2023, at 19:56.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 796 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","cf0fc8c408f510ef1d412d315a3bab7f_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Thirty_years_of_the_DICOM_standard rootpage-Journal_Thirty_years_of_the_DICOM_standard skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Thirty years of the DICOM standard<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/DICOM\" title=\"DICOM\" class=\"wiki-link\" data-key=\"f0c7c747895286ff8785b6ed4dbc7ec0\">Digital Imaging and Communications in Medicine<\/a> (DICOM) is an international standard that defines a format for storing <a href=\"https:\/\/www.limswiki.org\/index.php\/Medical_imaging\" title=\"Medical imaging\" class=\"wiki-link\" data-key=\"dddd7e2b5706415d7af0375386e6eafa\">medical images<\/a> and a protocol to enable and facilitate data communication among medical imaging systems. The DICOM standard has been instrumental in transforming the medical imaging world over the last three decades. Its adoption has been a significant experience for manufacturers, healthcare users, and research scientists. In this review, 30 years after introducing the standard, we discuss the innovation, advantages, and limitations of adopting DICOM and its possible future directions.\n<\/p><p><b>Keywords<\/b>: DICOM, metadata, file formats, communication protocols, quantitative imaging\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>Standardization is a key concept in the <a href=\"https:\/\/www.limswiki.org\/index.php\/Imaging_informatics\" title=\"Imaging informatics\" class=\"wiki-link\" data-key=\"fc0ae6a154d8896767defefdb6d14d0e\">digital imaging<\/a> world. The absence of a standard limits the usability and sharing of <a href=\"https:\/\/www.limswiki.org\/index.php\/Medical_imaging\" title=\"Medical imaging\" class=\"wiki-link\" data-key=\"dddd7e2b5706415d7af0375386e6eafa\">medical images<\/a>. It forces users to deal with a multitude of data formats and to convert data from one format to another. Moreover, any image file, in addition to pixel data, contains <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a>. Metadata is data describing the image and plays a non-secondary role in digital imaging. While general-purpose image format metadata can be limited to the description of the pixel matrix, in formats for scientific applications metadata can describe the subject, the instrumentation set-up, the image acquisition parameters, and any other element of interest related to the imaging <a href=\"https:\/\/www.limswiki.org\/index.php\/Workflow\" title=\"Workflow\" class=\"wiki-link\" data-key=\"92bd8748272e20d891008dcb8243e8a8\">workflow<\/a>. Despite this, the power of metadata is most often underestimated and consequently unexpressed. A standard helps in defining the metadata section for the correct use and interpretation of the image itself.\n<\/p><p>The field of medical imaging is exemplary in the context of standardization processes for pioneering vision and for having created a long-lived and appreciated standard. In the early 1980s, an association of users and professionals of the healthcare sector, the American College of Radiology (ACR), jointly with the National Association of Electronic Manufacturers (NEMA), started to define a new standard for the encoding and exchange of digital medical images. In 1993, the ACR-NEMA committee presented <a href=\"https:\/\/www.limswiki.org\/index.php\/DICOM\" title=\"DICOM\" class=\"wiki-link\" data-key=\"f0c7c747895286ff8785b6ed4dbc7ec0\">Digital Imaging and Communications in Medicine<\/a> (DICOM) as a standard with more functionality and long-term vision than the previous standardization attempts known as ACR-NEMA 1.0 (1985) and 2.0 (1988).<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> For its time, DICOM represented an authentic novelty. Before the introduction of the DICOM standard, and therefore, until the first half of the 1990s, the medical imaging world saw diagnostic modalities, even within the same department, very confined to their rooms. The images were generally printed to film to be interpreted by the radiologist. In a native digital format, images were viewed and processed on the modality console and rarely exported to different workstations. Medical imaging systems were not connected to each other except for some dedicated point-to-point connections. Image transfer between modalities and image processing workstation, both inside and outside an imaging department, took place mainly through removable media with an important limitation: the absence of a common file format and the unknown of correctly reading the removable media storage (typically a magneto-optical disks or a tape). Therefore, the usability of the images remained linked to the availability of software for reading proprietary image formats and the media themselves. (A complete overview of the old proprietary file formats can be found on the David Clunie Medical Image Formats website.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup>) The DICOM international standard was conceived to overcome the limitations imposed by proprietary architectures and data formats and to allow and promote communication among medical imaging devices using the same network infrastructures of internet-enabled computer networks. \n<\/p><p>With its conception, the novelties of the DICOM standard were:\n<\/p>\n<ul><li>To state that in medicine the standardization of image format and image-related <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a>, as well as their communication over a network, is essential;<\/li>\n<li>To remark that, for medical images, metadata is as important as pixel data; and<\/li>\n<li>To be general enough to cover almost every medical imaging modality and flexible enough to follow their evolution over time.<\/li><\/ul>\n<p>First developed for radiology and then cardiology departments, the DICOM standard has evolved over the years to support various other branches of medical imaging well beyond radiology, such as dermatology and ophthalmology, with the objective to encompass almost all modalities of imaging-based medicine. There are approximately 80 modalities defined by the standard today. DICOM is also the current standard for radiation therapy in the so-called second-generation radiotherapy after a complete revision in 2014. DICOM also supports data exchange of time-based signals or waveforms, such as those generated in clinical neurophysiology, which include, among others, electrocardiograms (ECGs) and electroencephalography (EEG). In more recent times, the DICOM standard has been proposed for <a href=\"https:\/\/www.limswiki.org\/index.php\/Digital_pathology\" title=\"Digital pathology\" class=\"wiki-link\" data-key=\"d028733eb07372f6516e9a711a44e641\">digital pathology<\/a>. The adoption of the standard in this area would favor the integration of clinical imaging and <a href=\"https:\/\/www.limswiki.org\/index.php\/Biomedical_sciences\" title=\"Biomedical sciences\" class=\"wiki-link\" data-key=\"e303e83ccc6c2986f399887e62bb8403\">laboratory medicine<\/a>.<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> DICOM does not limit its action to images and associated information originating directly from medical devices. It defines mechanisms for <a href=\"https:\/\/www.limswiki.org\/index.php\/Archival_informatics\" title=\"Archival informatics\" class=\"wiki-link\" data-key=\"4447a2573f231b1e5e6641d8e5df8aa6\">archiving<\/a> and <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_sharing\" title=\"Data sharing\" class=\"wiki-link\" data-key=\"a99d5fda27f755c693c65864d9286130\">sharing<\/a> quantitative derived images, image-derived data, annotations, and reports.\n<\/p><p>DICOM is a constantly evolving standard and is revised five times a year with contributions from the numerous DICOM working groups divided by fields of application and imaging modalities.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup> However, DICOM only provides recommendations and no accompanying software. Despite this, the availability of some high-quality <a href=\"https:\/\/www.limswiki.org\/index.php\/Open-source_software\" class=\"mw-redirect wiki-link\" title=\"Open-source software\" data-key=\"c64f7db2bde1cdf753044221b64c0909\">open-source software<\/a> libraries and utilities in several programming languages\u2014such as DCMTK (C and C++), <a href=\"https:\/\/www.limswiki.org\/index.php\/Dcm4che3\" title=\"Dcm4che3\" class=\"wiki-link\" data-key=\"483fdfbf249275826cb653b6ecf3038a\">DCM4CHE<\/a> (Java), and PyDICOM (Python)<sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup>\u2014has helped in spreading and affirming the standard.\n<\/p><p>This article presents an overview of the DICOM standard, covering its fundamental principles and concepts. It also explores the advantages and limitations of the standard while outlining some potential future developments. Throughout this document, all references to the DICOM standard in sections, figures, and tables refer to the 2023b edition.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Not_only_pixels:_The_power_of_metadata_in_medical_images\">Not only pixels: The power of metadata in medical images<\/span><\/h2>\n<p>Medical images must be standardized in a format that can be stored, shared, and used effectively. Therefore, a standard must necessarily deal with metadata as well. The DICOM standard aims to establish a reliable format for medical images and associated information. One of the most significant advancements of the DICOM image format is its metadata formulation, which provides an accurate and detailed description of the subject and procedure used to generate the image. The standard emphasizes that metadata is essential for the full use of medical investigation for clinical, management, and research purposes, establishing the non-divisibility of the pixel data from the metadata. Each DICOM image consists of metadata and pixel data embedded in a single file so that, as the standard institutional website remarks, \u201cthe image can never be separated from this information by mistake.\u201d\n<\/p><p>Knowing how a medical image has been generated from the diagnostic modalities is extremely helpful. For example, a nuclear medicine image will contain information about the injected <a href=\"https:\/\/www.limswiki.org\/index.php\/Radiopharmacology\" title=\"Radiopharmacology\" class=\"wiki-link\" data-key=\"c05f4c40cbd311d197b3e45faaed0146\">radiopharmaceutical<\/a>, injection time, acquisition start time, and end time. An <a href=\"https:\/\/www.limswiki.org\/index.php\/X-ray\" title=\"X-ray\" class=\"wiki-link\" data-key=\"4cff4cc03b4bb2557587b3ee66ef8f83\">X-ray<\/a> computed tomography image will contain information about the X-ray tube voltage and current, exposure time, slice thickness, etc. This kind of data are consistently included in the metadata of every DICOM image. To understand the structure of a DICOM metadata section, remember that the standard describes real-world entities, such as patients, studies, diagnostic modalities, and images, in terms of objects and relationships that may occur between them (the so-called entity-relationship model). It is a high level of abstraction that has helped make the DICOM a complex format. Objects are defined in a standard way through groups of attributes describing them in detail. As a result, DICOM needs to store many attributes (Figure 1) to guarantee a comprehensive depiction of the imaging process.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Larobina_Tomography23_9-5.png\" class=\"image wiki-link\" data-key=\"55ef280ee2bec87d76e725413221a3cc\"><img alt=\"Fig1 Larobina Tomography23 9-5.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8f\/Fig1_Larobina_Tomography23_9-5.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 1<\/b> DICOM image metadata contains detailed information to identify and describe the main entities of the imaging workflow: Patient, Study, Series, and Images. The Patient data section essentially includes a unique patient identifier, the patient\u2019s name, date of birth, sex, and data such as the patient\u2019s weight, which is required to normalize voxel values by body weight as in the case of standardized uptake value (SUV) in <a href=\"https:\/\/www.limswiki.org\/index.php\/Positron_emission_tomography\" title=\"Positron emission tomography\" class=\"wiki-link\" data-key=\"31f40a8404a38e80f387ac8714351c47\">PET<\/a>. The Study section includes a unique identifier, the study date and time, the study description, the Institution name, the referring physicians, etc. The Series section will contain a unique identifier, the body part examined, the field of view, and data related to the imaging modality, such as acquisition protocol and scanning parameters, as well as the manufacturer name, the model, and the software of the equipment used. Finally, the Image section will contain a description of the pixel data necessary for the correct loading and display of the image: rows, columns, samples per pixel, bit depth, photometric interpretation, pixel size, etc.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>How is the metadata section populated? There are attributes set during the installation\/configuration of the imaging modality (mainly related to the hardware and software of the system, the institution name, etc.), attributes automatically exchanged with the <a href=\"https:\/\/www.limswiki.org\/index.php\/Hospital_information_system\" title=\"Hospital information system\" class=\"wiki-link\" data-key=\"d8385de7b1f39a39d793f8ce349b448d\">hospital information system<\/a> (HIS)\/<a href=\"https:\/\/www.limswiki.org\/index.php\/Radiology_information_system\" title=\"Radiology information system\" class=\"wiki-link\" data-key=\"62d0a667f8b27309ea38a46507cfb500\">radiology information system<\/a> (RIS) of the department, attributes specified by the acquisition procedure selected for the examination, etc.\n<\/p><p>In a DICOM file, each attribute is identified by a unique tag consisting of two hexadecimal numbers. The first represents the group and the second represents the element. For example, the tag for the modality is (0008, 0060).\n<\/p><p>DICOM attributes are logically grouped into modules to identify and describe real-world objects. Modules are presented in standard documents in the form of tables. Modules store the name, tag, definition, and type of the attributes and can hold attributes from various groups. There are modules common to multiple imaging modalities and others specific to one modality, as outlined in Annex C.7 and C.8 of the PS 3.3 standard document (Table 1). Groups of attributes repeated across multiple modules are called \"macros.\" The DICOM data dictionary (PS 3.6) contains all the attributes defined and described in the standard, known as public data elements. Metadata can also include manufacturer-specific attributes known as \"private data elements\" for which there is no description and are not part of the data dictionary. It is important to note that private data elements are assigned an odd group number, whereas public data elements always have an even group number. The number of data elements present in a DICOM file, both public and private, is generally variable. A specific tag indicates the start of the pixel data and hence the end of the metadata section.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Summary of the modules defined in the DICOM standard document PS 3.3\u2014Annex C7 and C8. The list of modality-specific modules has been truncated for brevity; there are approximately 80 modalities defined by the standard, each with its own separate module.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">C.7. Common Composite Image Information Object Definition (IOD) Modules\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">C.8. Modality-Specific Modules\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">C.7.1. Common Patient IE Modules<br \/>C.7.2. Common Study IE Modules<br \/>C.7.3. Common Series IE Modules<br \/>C.7.4. Common Frame of Reference IE Modules<br \/>C.7.5. Common Equipment IE Modules<br \/>C.7.6. Common Image IE Modules<br \/>C.7.7. (Retired) Patient Summary Module<br \/>C.7.8. (Retired) Study Content Module<br \/>C.7.9. Palette Color Lookup Table Module<br \/>C.7.10. Common Acquisition IE Modules<br \/>C.7.11. Common Multi-Resolution Pyramid IE Modules\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">C.8.1. Computed Radiography Modules<br \/>C.8.2. CT Modules<br \/>C.8.3. MR Modules<br \/>C.8.4. Nuclear Medicine Modules<br \/>C.8.5. Ultrasound Modules<br \/>C.8.6. Secondary Capture Modules<br \/>C.8.7. X-ray Modules<br \/>C.8.8. Radiotherapy Modules<br \/>C.8.9. PET Modules<br \/>\u2026<br \/>C.8.32. Parametric Map<br \/>C.8.33. Tractography Results Modules\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Regarding the DICOM pixel data section, the support for floating point values (single precision 32-bit and double precision 64-bit) is limited to radiation dose values in radiotherapy and, more recently, to parametric maps defined as images in which the pixel values have been derived from the value stored by the modality to be the expression of a physical quantity. In all the other cases, DICOM pixel values can only be integers. DICOM uses a scale factor whenever the values stored in each voxel need to be scaled to different units. This is achieved through two fields specified in the metadata defining the slope and the intercept of the linear transformation to be used to convert pixel values to real-world values.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Rules_and_tools_for_the_exchange_of_medical_images_and_related_information\">Rules and tools for the exchange of medical images and related information<\/span><\/h2>\n<p>Beyond a standardized file format for medical images and associated information, the DICOM standard provides a communication protocol to easily share images in a vendor-independent manner. Protocols are defined by Tim Berners-Lee, one of the creators of the World Wide Web, as simple rules for global systems.<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> This definition is both brief and impactful.\n<\/p><p>The purpose of the DICOM protocol is to establish communication between diagnostic and sometimes therapy systems of different manufacturers and display, storage, and management devices on a network. The introduction of the DICOM standard marks the beginning of a revolution similar to the introduction of computer networks: no more separate diagnostic equipment, but diagnostic systems, and in some cases of therapy, processing\/display and reporting stations that can be connected together and that can share images and related data, storage devices and printers. To realize this objective, the DICOM standard provides an upper-layer protocol that runs over the well-established internet standard protocol TCP\/IP. Any DICOM-compliant device attached to the network is an Application Entity identified, in addition to the TCP\/IP parameters (IP address, subnet mask, and port number) by a 16-character identification code called \u201cApplication Entity Title.\u201d Application Entities can exchange services among themselves according to the client-server model that DICOM renames \"Service\/Provider\"; the requestor of a service is called a \"Service Class User,\" while the provider is called a \"Service Class Provider.\" Depending on the service, a DICOM node can act as a user or provider. Establishing an association involves a negotiation phase during which the service to be exchanged and the role played by each node is established. Next, the transfer syntax for the data exchange is decided, the connection is established, and the data transfer takes place. The main services available on a DICOM network are:\n<\/p>\n<ul><li><b>Storage<\/b>: This service is required to archive images across a network. Typically, it is used by an acquisition modality to send images to a <a href=\"https:\/\/www.limswiki.org\/index.php\/Picture_archiving_and_communication_system\" title=\"Picture archiving and communication system\" class=\"wiki-link\" data-key=\"523b73ff51fa83663dc0b1d59e6d0f05\">picture archiving and communication system<\/a> (PACS) or a storage server.<\/li>\n<li><b>Storage Commitment<\/b>: This is an enhanced version of the Storage service with in addition a message sent by the storage provider to the user to confirm that \u201carchiving was successful,\u201d so that the user can safely delete the images locally.<\/li>\n<li><b>Print<\/b>: This service prints images from an acquisition modality or a display station.<\/li>\n<li><b>Query\/Retrieve<\/b>: This service enables nodes on the DICOM network to query a PACS or another storage unit in order to know the list of images available on it and then to retrieve them.<\/li>\n<li><b>Modality Worklist<\/b>: This service manages the list of exams to be acquired for each patient. Each examination of the list is scheduled and its completion is made known to the system that updates the data. It is only possible in departments equipped with a computerized reservation\/acceptance system (HIS\/RIS) integrated into the DICOM network.<\/li><\/ul>\n<p>Recently, DICOM has added a protocol called DICOMweb built on top of the HyperText Transfer Protocol (HTTP) for using services via the web.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup> DICOMweb enables query, retrieval, storage, and worklist services. DICOM images can be retrieved traditionally as binary objects containing metadata and pixel data or with metadata in JavaScript Object Notation (JSON) or <a href=\"https:\/\/www.limswiki.org\/index.php\/Extensible_Markup_Language\" title=\"Extensible Markup Language\" class=\"wiki-link\" data-key=\"f7c17028e7fb39d8b39c6d31504411a8\">Extensible Markup Language<\/a> (XML) and pixel data as DICOM bulk data or, optionally, in a format suitable to be directly displayed in a web browser (JPEG).\n<\/p><p>In addition to the storage of images through a network, the DICOM standard specifies how to standardize image storage on removable physical media such as CD\/DVD\/Blue-ray discs, magneto-optical discs, USB-connected removable devices, and compact-flash removable devices (DICOM PS 3.12). In this way, the interoperability is extended and ensured even when the image exchange takes place through removable supports. To store DICOM images on physical supports, the standard prescribes a flat-file organization consisting of a folder that serves as a container for the patient\u2019s images, along with a DICOMDIR file. DICOMDIR contains the association between image files and the patient study-series information for all the DICOM files on the media. DICOMDIR is not human-readable as it is a binary file in DICOM format, so a software utility is necessary to read it. Figure 2 shows the DICOMDIR concept schematically.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Larobina_Tomography23_9-5.png\" class=\"image wiki-link\" data-key=\"c960ec3cd6b8c8a2fa095bd2372630a4\"><img alt=\"Fig2 Larobina Tomography23 9-5.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/cd\/Fig2_Larobina_Tomography23_9-5.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 2<\/b> On the left, the DICOMDIR flat image files organization in the case of a patient who underwent a whole-body PET\/CT diagnostic study. On the right, the corresponding image file organization using the hierarchical folder tree option (patient-study-series) in the <a href=\"https:\/\/www.limswiki.org\/index.php\/OsiriX\" title=\"OsiriX\" class=\"wiki-link\" data-key=\"bfde47f22774a57ce8c0c36c5dfabdb8\">OsiriX Viewer<\/a> export utility. The PET study was reconstructed with and without attenuation correction (AC). According to the standard, DICOMDIR image filenames are no more than eight characters without any extension.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h2><span id=\"rdp-ebb-DICOM\u2019s_strengths_and_weaknesses\"><\/span><span class=\"mw-headline\" id=\"DICOM.E2.80.99s_strengths_and_weaknesses\">DICOM\u2019s strengths and weaknesses<\/span><\/h2>\n<p>DICOM is a complex standard designed to offer maximum flexibility, with the ambition to virtually embrace almost all medical imaging modalities. The adoption of the DICOM standard has greatly improved the access, exchange, and usability of medical images. Today, PACS, RIS, and HIS are critical components of every imaging department, and their existence relies on DICOM. The power of metadata in medical imaging has been for a long time underestimated and consequently unexpressed. Thanks to DICOM, clinicians and researchers recognized, after an initial slow acknowledgment phase, that metadata are not only helpful but essential for a better understanding and management of the images. DICOM confirmed the assumption that metadata is as important as pixel data. The adoption of DICOM also encouraged and facilitated data exchange between researchers, creating added value for <a href=\"https:\/\/www.limswiki.org\/index.php\/Research\" title=\"Research\" class=\"wiki-link\" data-key=\"409634fd90113f119362927fe222f549\">research<\/a>. The DICOM standard also has a primary role in the emerging field of enterprise imaging, whose ultimate goal is to connect as many technologies as possible in a collaborative workflow in order to provide added value for the <a href=\"https:\/\/www.limswiki.org\/index.php\/Electronic_health_record\" title=\"Electronic health record\" class=\"wiki-link\" data-key=\"f2e31a73217185bb01389404c1fd5255\">electronic health record<\/a> (EHR).<sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup>\n<\/p>\n<h3><span id=\"rdp-ebb-Conformance_(the_DICOM_philosophy)\"><\/span><span class=\"mw-headline\" id=\"Conformance_.28the_DICOM_philosophy.29\">Conformance (the DICOM philosophy)<\/span><\/h3>\n<p>It is essential to understand that compliance with the DICOM standard is voluntary. The standards body publishes the recommendations, leaving the manufacturers free to implement or not some aspect of the standard, with the only duty being to the user to declare it in a conformance statement. There is no certification or validation mechanism to verify compliance. This extreme flexibility ended up creating problems due to a consequent variability between the implementations of the various vendors, which led to a decrement in the level of interoperability between imaging systems and between imaging systems and PACS, especially in the earlier implementation of the standard.\n<\/p><p>Standards prescribe rules, but it is important to acknowledge that not all vendors, programmers, and researchers may consistently follow all suggested rules. Additionally, errors may occur due to the intricate nature of the standard.\n<\/p><p>It is clear that having a software tool to easily verify compliance with a standard is a helpful way to support and speed up the assertion of the standard itself. Such a test and validation tool becomes even more necessary as the complexity of the standard increases.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Private_tags\">Private tags<\/span><\/h3>\n<p>The presence in the metadata of private tags identifying private data elements is another peculiar aspect of the standard. As reported in Clunie <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_23-0\" class=\"reference\"><a href=\"#cite_note-:0-23\">[23]<\/a><\/sup>, \u201cprivate data are data elements that the DICOM standard allows to be included, but whose meaning and encoding are not defined by the standard itself.\u201d It is not difficult to understand that the use of proprietary data can create troubles besides appearing contradictory for an open standard. The DICOM standard considers private data necessary because manufacturers may need to codify and include in the imaging process description parameters or information not yet contemplated by the standard (PS 3.5\u2014Section 7.8), as can be, for example, those related to innovative technological solutions adopted by instruments they produce. It is, therefore, a guarantee of maximum flexibility that the standard offers to the manufacturers and belongs to the long-term vision of the standard. This is the theory because, in practice, there are manufacturers who make excessive use of private tags, using them despite the existence of public tags intended to hold the same information.<sup id=\"rdp-ebb-cite_ref-:1_24-0\" class=\"reference\"><a href=\"#cite_note-:1-24\">[24]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_26-0\" class=\"reference\"><a href=\"#cite_note-:2-26\">[26]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-27\" class=\"reference\"><a href=\"#cite_note-27\">[27]<\/a><\/sup> Indeed, the use of private data could be better regulated and documented. Their overuse could have been classified as violating the standard without harming the trade-secret protection or affecting the generality of the standard. Unfortunately, the DICOM standard has not foreseen limitations for private tags, leaving the matter to be regulated based on the relationship between customers and device vendors.\n<\/p>\n<h3><span id=\"rdp-ebb-Data_protection_(privacy)\"><\/span><span class=\"mw-headline\" id=\"Data_protection_.28privacy.29\">Data protection (privacy)<\/span><\/h3>\n<p>Another issue connected to the adoption of the DICOM standard is that a metadata section rich in information with explicit reference to patients\u2019 personal data poses a privacy problem every time the images are viewed or exported outside of the structure where they were acquired and reported. It is recommended to anonymize DICOM images before transmitting them externally. However, it is common experience, especially in the post-processing field, that sometimes anonymized images do not work while native ones do. This may be because certain processing software uses private information for measurements and calculations. Tools for de-identification\/anonymization are numerous, but it is always necessary to carefully select the options that the de-identification software provides, limiting the fields that are overwritten (cleaned) and retaining whenever possible private tags even in the anonymized version as they could contain essential information for image analysis. The DICOM standard recently published a list of \u201cknown to be safe\u201d private tags (PS 3.15 Annex E), which is a good practice to keep in the de-identification process.<sup id=\"rdp-ebb-cite_ref-:0_23-1\" class=\"reference\"><a href=\"#cite_note-:0-23\">[23]<\/a><\/sup>\n<\/p><p>Nevertheless, the goal of de-identification is not straightforward due to the need to satisfy <a href=\"https:\/\/www.limswiki.org\/index.php\/Information_privacy\" title=\"Information privacy\" class=\"wiki-link\" data-key=\"185f6d9f874e48914b5789317408f782\">privacy<\/a> regulations on the one hand and the capability to have a fully functional anonymized DICOM on the other. These difficulties have complicated data sharing between working and research groups and limited the creation of public databases containing DICOM images.<sup id=\"rdp-ebb-cite_ref-28\" class=\"reference\"><a href=\"#cite_note-28\">[28]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-29\" class=\"reference\"><a href=\"#cite_note-29\">[29]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Quantitative_image_analysis\">Quantitative image analysis<\/span><\/h3>\n<p>The primary focus of the DICOM standard is within the clinical domain. The DICOM file format was not designed with image post-processing as an application. As an image format, DICOM is used by vendor-supplied quantitative processing tools, by groups that have developed their own software and are familiar with the standard, and whenever the processing relies entirely on a single software application that is compatible with DICOM. In other cases, researchers and programmers prefer to work with alternative formats, starting the post-processing pipeline by converting DICOM images into the format of choice for their research project<sup id=\"rdp-ebb-cite_ref-30\" class=\"reference\"><a href=\"#cite_note-30\">[30]<\/a><\/sup>; then, they do not consider the DICOM format for encoding their analysis results, though, in recent years, software tools have been made available to the research community to facilitate the translation of the results of their analysis back into the DICOM format.<sup id=\"rdp-ebb-cite_ref-31\" class=\"reference\"><a href=\"#cite_note-31\">[31]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-32\" class=\"reference\"><a href=\"#cite_note-32\">[32]<\/a><\/sup> DICOM remains the reference for the information reported in the metadata section. Cases in which metadata does not completely match researchers\u2019 expectations are still encountered. Critical issues have been highlighted in <a href=\"https:\/\/www.limswiki.org\/index.php\/Magnetic_resonance_imaging\" title=\"Magnetic resonance imaging\" class=\"wiki-link\" data-key=\"ecf92fce38dc6c6fbe9e6feac471ffd2\">magnetic resonance imaging<\/a> (MRI), particularly for perfusion and diffusion studies. Commonly reported issues about metadata are, among others, an insufficient detail of information, not mandatory public attributes of interest, and the use of private tags to contain parameters essential for quantitation.<sup id=\"rdp-ebb-cite_ref-:1_24-1\" class=\"reference\"><a href=\"#cite_note-:1-24\">[24]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_26-1\" class=\"reference\"><a href=\"#cite_note-:2-26\">[26]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-33\" class=\"reference\"><a href=\"#cite_note-33\">[33]<\/a><\/sup> The lack of response to these needs has encouraged the development of alternative standards, such as the Brain Imaging Data Structure (BIDS)<sup id=\"rdp-ebb-cite_ref-34\" class=\"reference\"><a href=\"#cite_note-34\">[34]<\/a><\/sup>, that may not have been born if DICOM had shown greater openness towards the research world.\n<\/p><p>Computerized image analyses and processing may have even more relevance in the coming years due to the contribution that <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">artificial intelligence<\/a> (AI) techniques are expected to have. From a predominantly research-based activity separated from the clinical domain, image processing will be in the future increasingly integrated into clinical practice.\n<\/p><p>The DICOM standard has already developed tools to support quantitative imaging. Among these are Parametric Maps for storing images quantitatively derived from acquired images, DICOM Segmentation for the saving of segmentation results in terms of images, Structured Reports and Annotations for the encoding of image-derived associated data as volumes of segmented regions, measurements for <a href=\"https:\/\/www.limswiki.org\/index.php\/Cancer\" title=\"Cancer\" class=\"wiki-link\" data-key=\"fcd6751ee9aef5d96b8448c082d5e582\">cancer<\/a> lesions characterization, etc. These DICOM tools still have limited support and adoption and might form the basis for future expansions of the standard. Undoubtedly, the support for image processing and the integration of image analysis results into PACS systems or enterprise image archives is a major challenge for the DICOM standard in the next decade.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions_and_future_directions\">Conclusions and future directions<\/span><\/h2>\n<p>DICOM demonstrates the positive influence and added value that a standard can have in a specific field. However, there is no standard for all areas of scientific imaging. For example, there is no single standard for biological image data despite numerous attempts to develop and adopt a standard. One of the first microscopy data formats, the Image Cytometry Standard (ICS), released in 1990<sup id=\"rdp-ebb-cite_ref-35\" class=\"reference\"><a href=\"#cite_note-35\">[35]<\/a><\/sup>, was inspired by the work of the ACR-NEMA consortium and shows similarity to the Interfile format developed in the same years for nuclear medicine diagnostic images.<sup id=\"rdp-ebb-cite_ref-36\" class=\"reference\"><a href=\"#cite_note-36\">[36]<\/a><\/sup> More recently, the Open Microscopy Environment Consortium (OME) first proposed a modified version of the well-known Tagged Image File Format (TIFF) with an enriched metadata section encoded in XML (OME-TIFF)<sup id=\"rdp-ebb-cite_ref-37\" class=\"reference\"><a href=\"#cite_note-37\">[37]<\/a><\/sup>, and then, in an attempt to have a more complete and powerful format, proposed its successor, the OME-Zarr.<sup id=\"rdp-ebb-cite_ref-38\" class=\"reference\"><a href=\"#cite_note-38\">[38]<\/a><\/sup> The DICOM standard has also focused on the <a href=\"https:\/\/www.limswiki.org\/index.php\/Histopathology\" title=\"Histopathology\" class=\"wiki-link\" data-key=\"1250dd919ba7b6079a53d9b17e5bc666\">histopathology<\/a> whole slide imaging application. It was chosen as the format for the Imaging Data Common project, a <a href=\"https:\/\/www.limswiki.org\/index.php\/Cloud_computing\" title=\"Cloud computing\" class=\"wiki-link\" data-key=\"fcfe5882eaa018d920cedb88398b604f\">cloud-based<\/a> imaging data science platform for cancer studies started by the U.S. <a href=\"https:\/\/www.limswiki.org\/index.php\/National_Cancer_Institute\" title=\"National Cancer Institute\" class=\"wiki-link\" data-key=\"281916a9fbd28f1e14ba3a07ff64abc8\">National Cancer Institute<\/a> (NCI).<sup id=\"rdp-ebb-cite_ref-39\" class=\"reference\"><a href=\"#cite_note-39\">[39]<\/a><\/sup> Other formats have been developed and successfully established in specific fields, such as the MRC format for cryo-electron microscopy<sup id=\"rdp-ebb-cite_ref-40\" class=\"reference\"><a href=\"#cite_note-40\">[40]<\/a><\/sup> and the imzML format for images.<sup id=\"rdp-ebb-cite_ref-41\" class=\"reference\"><a href=\"#cite_note-41\">[41]<\/a><\/sup> Unfortunately, none of the proposed standards have been affirmed except for some specific fields, and vendor proprietary formats are still in use.\n<\/p><p>The possibilities for the affirmation of a standard lie in the convergence between industry and the scientific community. Sometimes, standards have been proposed by the scientific community but then have failed to establish themselves, probably because the industries of the sector have not recognized the advantages of a single standard to justify an investment or a change in the company policy on the subject.\n<\/p><p>The field of medical imaging is exemplary in the standardization processes for the pioneering vision and longevity of its standard promoted at the end of 1980. This experience highlights that the opportunity to have a standard should not be underestimated. Beyond revolutionizing the clinical practice, the DICOM standard has encouraged and facilitated data exchange between researchers, creating added value for research. We think adopting a standard in other imaging-based contexts could also have a similar positive impact.\n<\/p><p>Today, it is impossible to imagine an imaging department without DICOM. However, after 30 years, the time is ripe to review some of the initial directives. A modern standard should anticipate innovation, not just follow it. Overall, DICOM should recover the initial long-term vision that allowed it to propose solutions ahead of time. Through experience, it has become clear that there are areas in which the DICOM standard could be further improved, including simplifying and clarifying the documentation, limiting and regulating private tags, increasing the support for research and quantitative image processing, and strengthening privacy protection procedures. Additionally, the development and use of validation tools should be encouraged to minimize non-standard implementations.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>ACR<\/b>: American College of Radiology<\/li>\n<li><b>AI<\/b>: artificial intelligence<\/li>\n<li><b>BIDs<\/b>: Brain Imaging Data Structure<\/li>\n<li><b>CT<\/b>: computed tomography<\/li>\n<li><b>DICOM<\/b>: Digital Imaging and Communications in Medicine<\/li>\n<li><b>ECG<\/b>: electrocardiogram<\/li>\n<li><b>EEG<\/b>: electroencephalography<\/li>\n<li><b>HIS<\/b>: hospital information system<\/li>\n<li><b>HTTP<\/b>: HyperText Transfer Protocol<\/li>\n<li><b>ICS<\/b>: Image Cytometry Standard<\/li>\n<li><b>IE<\/b>: information entity<\/li>\n<li><b>IOD<\/b>: Information Object Definition<\/li>\n<li><b>JSON<\/b>: JavaScript Object Notation<\/li>\n<li><b>MRI<\/b>: magnetic resonance imaging<\/li>\n<li><b>NCI<\/b>: National Cancer Institute<\/li>\n<li><b>NEMA<\/b>: National Electrical Manufacturers Association<\/li>\n<li><b>OME<\/b>: Open Microscopy Environment<\/li>\n<li><b>PACS<\/b>: picture archiving and communication system<\/li>\n<li><b>PET<\/b>: positron emission tomography<\/li>\n<li><b>RIS<\/b>: radiology information system<\/li>\n<li><b>SUV<\/b>: standardized uptake value<\/li>\n<li><b>TIFF<\/b>: Tagged Image File Format<\/li>\n<li><b>TCP\/IP<\/b>: Transmission Control Protocol\/Internet Protocol<\/li>\n<li><b>XML<\/b>: eXtensible Markup Language<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>This research received no external funding.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflicts_of_interest\">Conflicts of interest<\/span><\/h3>\n<p>The author declares no conflict of interest.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Medical Imaging Technology Association. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dicomstandard.org\/\" target=\"_blank\">\"DICOM\"<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dicomstandard.org\/\" target=\"_blank\">https:\/\/www.dicomstandard.org\/<\/a><\/span><span class=\"reference-accessdate\">. 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D.; Horii, S. C.; Prior, F. W.; Van Syckle, D. E. (1 May 1997). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jamia\/article-lookup\/doi\/10.1136\/jamia.1997.0040199\" target=\"_blank\">\"Understanding and Using DICOM, the Data Interchange Standard for Biomedical Imaging\"<\/a> (in en). <i>Journal of the American Medical Informatics Association<\/i> <b>4<\/b> (3): 199\u2013212. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1136%2Fjamia.1997.0040199\" target=\"_blank\">10.1136\/jamia.1997.0040199<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1067-5027\" target=\"_blank\">1067-5027<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC61235\/\" target=\"_blank\">PMC61235<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/9147339\" target=\"_blank\">9147339<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jamia\/article-lookup\/doi\/10.1136\/jamia.1997.0040199\" target=\"_blank\">https:\/\/academic.oup.com\/jamia\/article-lookup\/doi\/10.1136\/jamia.1997.0040199<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Understanding+and+Using+DICOM%2C+the+Data+Interchange+Standard+for+Biomedical+Imaging&rft.jtitle=Journal+of+the+American+Medical+Informatics+Association&rft.aulast=Bidgood&rft.aufirst=W.+D.&rft.au=Bidgood%2C%26%2332%3BW.+D.&rft.au=Horii%2C%26%2332%3BS.+C.&rft.au=Prior%2C%26%2332%3BF.+W.&rft.au=Van+Syckle%2C%26%2332%3BD.+E.&rft.date=1+May+1997&rft.volume=4&rft.issue=3&rft.pages=199%E2%80%93212&rft_id=info:doi\/10.1136%2Fjamia.1997.0040199&rft.issn=1067-5027&rft_id=info:pmc\/PMC61235&rft_id=info:pmid\/9147339&rft_id=https%3A%2F%2Facademic.oup.com%2Fjamia%2Farticle-lookup%2Fdoi%2F10.1136%2Fjamia.1997.0040199&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-5\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-5\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFClunieCarrino2002\">Clunie, David A.; Carrino, John A. 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(1 November 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009926005002199\" target=\"_blank\">\"DICOM demystified: A review of digital file formats and their use in radiological practice\"<\/a> (in en). <i>Clinical Radiology<\/i> <b>60<\/b> (11): 1133\u20131140. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.crad.2005.07.003\" target=\"_blank\">10.1016\/j.crad.2005.07.003<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009926005002199\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0009926005002199<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=DICOM+demystified%3A+A+review+of+digital+file+formats+and+their+use+in+radiological+practice&rft.jtitle=Clinical+Radiology&rft.aulast=Graham&rft.aufirst=R.N.J.&rft.au=Graham%2C%26%2332%3BR.N.J.&rft.au=Perriss%2C%26%2332%3BR.W.&rft.au=Scarsbrook%2C%26%2332%3BA.F.&rft.date=1+November+2005&rft.volume=60&rft.issue=11&rft.pages=1133%E2%80%931140&rft_id=info:doi\/10.1016%2Fj.crad.2005.07.003&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0009926005002199&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Clunie, D.. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dclunie.com\/medical-image-faq\/html\/toc.html\" target=\"_blank\">\"Contents\"<\/a>. <i>Medical Image Format FAQ<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dclunie.com\/medical-image-faq\/html\/toc.html\" target=\"_blank\">https:\/\/www.dclunie.com\/medical-image-faq\/html\/toc.html<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 08 May 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Contents&rft.atitle=Medical+Image+Format+FAQ&rft.aulast=Clunie%2C+D.&rft.au=Clunie%2C+D.&rft_id=https%3A%2F%2Fwww.dclunie.com%2Fmedical-image-faq%2Fhtml%2Ftoc.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Clunie, David A. (1 June 2021). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1177\/0192623320965893\" target=\"_blank\">\"DICOM Format and Protocol Standardization\u2014A Core Requirement for Digital Pathology Success\"<\/a> (in en). <i>Toxicologic Pathology<\/i> <b>49<\/b> (4): 738\u2013749. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1177%2F0192623320965893\" target=\"_blank\">10.1177\/0192623320965893<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0192-6233\" target=\"_blank\">0192-6233<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1177\/0192623320965893\" target=\"_blank\">http:\/\/journals.sagepub.com\/doi\/10.1177\/0192623320965893<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=DICOM+Format+and+Protocol+Standardization%E2%80%94A+Core+Requirement+for+Digital+Pathology+Success&rft.jtitle=Toxicologic+Pathology&rft.aulast=Clunie&rft.aufirst=David+A.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.date=1+June+2021&rft.volume=49&rft.issue=4&rft.pages=738%E2%80%93749&rft_id=info:doi\/10.1177%2F0192623320965893&rft.issn=0192-6233&rft_id=http%3A%2F%2Fjournals.sagepub.com%2Fdoi%2F10.1177%2F0192623320965893&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">DICOM Standards Committee, Working Group 26 (Pathology) (12 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dicomstandard.org\/News-dir\/ftsup\/docs\/sups\/sup222.pdf\" target=\"_blank\">\"Digital Imaging and Communications in Medicine (DICOM) - Supplement 222: Microscopy Bulk Simple Annotations Storage SOP Class\"<\/a> (PDF). NEMA<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dicomstandard.org\/News-dir\/ftsup\/docs\/sups\/sup222.pdf\" target=\"_blank\">https:\/\/www.dicomstandard.org\/News-dir\/ftsup\/docs\/sups\/sup222.pdf<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 20 September 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Digital+Imaging+and+Communications+in+Medicine+%28DICOM%29+-+Supplement+222%3A+Microscopy+Bulk+Simple+Annotations+Storage+SOP+Class&rft.atitle=&rft.aulast=DICOM+Standards+Committee%2C+Working+Group+26+%28Pathology%29&rft.au=DICOM+Standards+Committee%2C+Working+Group+26+%28Pathology%29&rft.date=12+July+2021&rft.pub=NEMA&rft_id=https%3A%2F%2Fwww.dicomstandard.org%2FNews-dir%2Fftsup%2Fdocs%2Fsups%2Fsup222.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Herrmann, Markus D.; Clunie, David A.; Fedorov, Andriy; Doyle, Sean W.; Pieper, Steven; Klepeis, Veronica; Le, Long P; Mutter, George L. <i>et al.<\/i> (1 January 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2153353922003509\" target=\"_blank\">\"Implementing the DICOM Standard for Digital Pathology\"<\/a> (in en). <i>Journal of Pathology Informatics<\/i> <b>9<\/b> (1): 37. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4103%2Fjpi.jpi_42_18\" target=\"_blank\">10.4103\/jpi.jpi_42_18<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6236926\/\" target=\"_blank\">PMC6236926<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30533276\" target=\"_blank\">30533276<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2153353922003509\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2153353922003509<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Implementing+the+DICOM+Standard+for+Digital+Pathology&rft.jtitle=Journal+of+Pathology+Informatics&rft.aulast=Herrmann&rft.aufirst=Markus+D.&rft.au=Herrmann%2C%26%2332%3BMarkus+D.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Fedorov%2C%26%2332%3BAndriy&rft.au=Doyle%2C%26%2332%3BSean+W.&rft.au=Pieper%2C%26%2332%3BSteven&rft.au=Klepeis%2C%26%2332%3BVeronica&rft.au=Le%2C%26%2332%3BLong+P&rft.au=Mutter%2C%26%2332%3BGeorge+L.&rft.au=Milstone%2C%26%2332%3BDavid+S.&rft.date=1+January+2018&rft.volume=9&rft.issue=1&rft.pages=37&rft_id=info:doi\/10.4103%2Fjpi.jpi_42_18&rft_id=info:pmc\/PMC6236926&rft_id=info:pmid\/30533276&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2153353922003509&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Medical Imaging Technology Association. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dicomstandard.org\/activity\/wgs\" target=\"_blank\">\"Working Groups & Minutes\"<\/a>. <i>DICOM<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dicomstandard.org\/activity\/wgs\" target=\"_blank\">https:\/\/www.dicomstandard.org\/activity\/wgs<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 08 May 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Working+Groups+%26+Minutes&rft.atitle=DICOM&rft.aulast=Medical+Imaging+Technology+Association&rft.au=Medical+Imaging+Technology+Association&rft_id=https%3A%2F%2Fwww.dicomstandard.org%2Factivity%2Fwgs&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Eichelberg, Marco; Riesmeier, Joerg; Wilkens, Thomas; Hewett, Andrew J.; Barth, Andreas; Jensch, Peter (19 April 2004). Ratib, Osman M.; Huang, H. K.. eds. <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/proceedings.spiedigitallibrary.org\/proceeding.aspx?doi=10.1117\/12.534853\" target=\"_blank\"><i>Ten years of medical imaging standardization and prototypical implementation: the DICOM standard and the OFFIS DICOM toolkit (DCMTK)<\/i><\/a>. San Diego, CA. pp. 57. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1117%2F12.534853\" target=\"_blank\">10.1117\/12.534853<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/proceedings.spiedigitallibrary.org\/proceeding.aspx?doi=10.1117\/12.534853\" target=\"_blank\">http:\/\/proceedings.spiedigitallibrary.org\/proceeding.aspx?doi=10.1117\/12.534853<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Ten+years+of+medical+imaging+standardization+and+prototypical+implementation%3A+the+DICOM+standard+and+the+OFFIS+DICOM+toolkit+%28DCMTK%29&rft.aulast=Eichelberg&rft.aufirst=Marco&rft.au=Eichelberg%2C%26%2332%3BMarco&rft.au=Riesmeier%2C%26%2332%3BJoerg&rft.au=Wilkens%2C%26%2332%3BThomas&rft.au=Hewett%2C%26%2332%3BAndrew+J.&rft.au=Barth%2C%26%2332%3BAndreas&rft.au=Jensch%2C%26%2332%3BPeter&rft.date=19+April+2004&rft.pages=pp.+57&rft.place=San+Diego%2C+CA&rft_id=info:doi\/10.1117%2F12.534853&rft_id=http%3A%2F%2Fproceedings.spiedigitallibrary.org%2Fproceeding.aspx%3Fdoi%3D10.1117%2F12.534853&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.dcm4che.org\/\" target=\"_blank\">\"dcm4che.org - Open Source Clinical Image and Object Management\"<\/a>. dcm4che development team<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.dcm4che.org\/\" target=\"_blank\">https:\/\/www.dcm4che.org\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 31 August 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=dcm4che.org+-+Open+Source+Clinical+Image+and+Object+Management&rft.atitle=&rft.pub=dcm4che+development+team&rft_id=https%3A%2F%2Fwww.dcm4che.org%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pydicom.github.io\/2017-pydicom-establishment\" target=\"_blank\">\"Welcome to Pydicom\"<\/a>. Pydicom development team<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pydicom.github.io\/2017-pydicom-establishment\" target=\"_blank\">https:\/\/pydicom.github.io\/2017-pydicom-establishment<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 31 August 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Welcome+to+Pydicom&rft.atitle=&rft.pub=Pydicom+development+team&rft_id=https%3A%2F%2Fpydicom.github.io%2F2017-pydicom-establishment&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Berners-Lee, Tim; Fischetti, Mark (1999). <i>Weaving the Web: the original design and ultimate destiny of the World Wide Web by its inventor<\/i> (1st ed ed.). San Francisco: HarperSanFrancisco. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-06-251586-5.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Weaving+the+Web%3A+the+original+design+and+ultimate+destiny+of+the+World+Wide+Web+by+its+inventor&rft.aulast=Berners-Lee&rft.aufirst=Tim&rft.au=Berners-Lee%2C%26%2332%3BTim&rft.au=Fischetti%2C%26%2332%3BMark&rft.date=1999&rft.edition=1st+ed&rft.place=San+Francisco&rft.pub=HarperSanFrancisco&rft.isbn=978-0-06-251586-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Drnasin, Ivan; Grgi\u0107, Mislav; Gogi\u0107, Goran (1 October 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-017-9956-7\" target=\"_blank\">\"JavaScript Access to DICOM Network and Objects in Web Browser\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>30<\/b> (5): 537\u2013546. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-017-9956-7\" target=\"_blank\">10.1007\/s10278-017-9956-7<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5603437\/\" target=\"_blank\">PMC5603437<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/28138796\" target=\"_blank\">28138796<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-017-9956-7\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-017-9956-7<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=JavaScript+Access+to+DICOM+Network+and+Objects+in+Web+Browser&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Drnasin&rft.aufirst=Ivan&rft.au=Drnasin%2C%26%2332%3BIvan&rft.au=Grgi%C4%87%2C%26%2332%3BMislav&rft.au=Gogi%C4%87%2C%26%2332%3BGoran&rft.date=1+October+2017&rft.volume=30&rft.issue=5&rft.pages=537%E2%80%93546&rft_id=info:doi\/10.1007%2Fs10278-017-9956-7&rft.issn=0897-1889&rft_id=info:pmc\/PMC5603437&rft_id=info:pmid\/28138796&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-017-9956-7&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Genereaux, Brad W.; Dennison, Donald K.; Ho, Kinson; Horn, Robert; Silver, Elliot Lewis; O\u2019Donnell, Kevin; Kahn, Charles E. (1 June 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-018-0073-z\" target=\"_blank\">\"DICOMweb\u2122: Background and Application of the Web Standard for Medical Imaging\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>31<\/b> (3): 321\u2013326. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-018-0073-z\" target=\"_blank\">10.1007\/s10278-018-0073-z<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5959831\/\" target=\"_blank\">PMC5959831<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29748852\" target=\"_blank\">29748852<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-018-0073-z\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-018-0073-z<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=DICOMweb%E2%84%A2%3A+Background+and+Application+of+the+Web+Standard+for+Medical+Imaging&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Genereaux&rft.aufirst=Brad+W.&rft.au=Genereaux%2C%26%2332%3BBrad+W.&rft.au=Dennison%2C%26%2332%3BDonald+K.&rft.au=Ho%2C%26%2332%3BKinson&rft.au=Horn%2C%26%2332%3BRobert&rft.au=Silver%2C%26%2332%3BElliot+Lewis&rft.au=O%E2%80%99Donnell%2C%26%2332%3BKevin&rft.au=Kahn%2C%26%2332%3BCharles+E.&rft.date=1+June+2018&rft.volume=31&rft.issue=3&rft.pages=321%E2%80%93326&rft_id=info:doi\/10.1007%2Fs10278-018-0073-z&rft.issn=0897-1889&rft_id=info:pmc\/PMC5959831&rft_id=info:pmid\/29748852&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-018-0073-z&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ziegler, Erik; Urban, Trinity; Brown, Danny; Petts, James; Pieper, Steve D.; Lewis, Rob; Hafey, Chris; Harris, Gordon J. (1 November 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ascopubs.org\/doi\/10.1200\/CCI.19.00131\" target=\"_blank\">\"Open Health Imaging Foundation Viewer: An Extensible Open-Source Framework for Building Web-Based Imaging Applications to Support Cancer Research\"<\/a> (in en). <i>JCO Clinical Cancer Informatics<\/i> (4): 336\u2013345. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1200%2FCCI.19.00131\" target=\"_blank\">10.1200\/CCI.19.00131<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2473-4276\" target=\"_blank\">2473-4276<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7259879\/\" target=\"_blank\">PMC7259879<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32324447\" target=\"_blank\">32324447<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ascopubs.org\/doi\/10.1200\/CCI.19.00131\" target=\"_blank\">https:\/\/ascopubs.org\/doi\/10.1200\/CCI.19.00131<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Open+Health+Imaging+Foundation+Viewer%3A+An+Extensible+Open-Source+Framework+for+Building+Web-Based+Imaging+Applications+to+Support+Cancer+Research&rft.jtitle=JCO+Clinical+Cancer+Informatics&rft.aulast=Ziegler&rft.aufirst=Erik&rft.au=Ziegler%2C%26%2332%3BErik&rft.au=Urban%2C%26%2332%3BTrinity&rft.au=Brown%2C%26%2332%3BDanny&rft.au=Petts%2C%26%2332%3BJames&rft.au=Pieper%2C%26%2332%3BSteve+D.&rft.au=Lewis%2C%26%2332%3BRob&rft.au=Hafey%2C%26%2332%3BChris&rft.au=Harris%2C%26%2332%3BGordon+J.&rft.date=1+November+2020&rft.issue=4&rft.pages=336%E2%80%93345&rft_id=info:doi\/10.1200%2FCCI.19.00131&rft.issn=2473-4276&rft_id=info:pmc\/PMC7259879&rft_id=info:pmid\/32324447&rft_id=https%3A%2F%2Fascopubs.org%2Fdoi%2F10.1200%2FCCI.19.00131&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gorman, Chris; Punzo, Davide; Octaviano, Igor; Pieper, Steven; Longabaugh, William J. R.; Clunie, David A.; Kikinis, Ron; Fedorov, Andrey Y. <i>et al.<\/i> (22 March 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41467-023-37224-2\" target=\"_blank\">\"Interoperable slide microscopy viewer and annotation tool for imaging data science and computational pathology\"<\/a> (in en). <i>Nature Communications<\/i> <b>14<\/b> (1): 1572. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41467-023-37224-2\" target=\"_blank\">10.1038\/s41467-023-37224-2<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2041-1723\" target=\"_blank\">2041-1723<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC10033920\/\" target=\"_blank\">PMC10033920<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36949078\" target=\"_blank\">36949078<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41467-023-37224-2\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41467-023-37224-2<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Interoperable+slide+microscopy+viewer+and+annotation+tool+for+imaging+data+science+and+computational+pathology&rft.jtitle=Nature+Communications&rft.aulast=Gorman&rft.aufirst=Chris&rft.au=Gorman%2C%26%2332%3BChris&rft.au=Punzo%2C%26%2332%3BDavide&rft.au=Octaviano%2C%26%2332%3BIgor&rft.au=Pieper%2C%26%2332%3BSteven&rft.au=Longabaugh%2C%26%2332%3BWilliam+J.+R.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Kikinis%2C%26%2332%3BRon&rft.au=Fedorov%2C%26%2332%3BAndrey+Y.&rft.au=Herrmann%2C%26%2332%3BMarkus+D.&rft.date=22+March+2023&rft.volume=14&rft.issue=1&rft.pages=1572&rft_id=info:doi\/10.1038%2Fs41467-023-37224-2&rft.issn=2041-1723&rft_id=info:pmc\/PMC10033920&rft_id=info:pmid\/36949078&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41467-023-37224-2&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-21\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-21\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Clunie, David A.; Dennison, Don K.; Cram, Dawn; Persons, Kenneth R.; Bronkalla, Mark D.; Primo, Henri \u201cRik\u201d (1 October 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-016-9899-4\" target=\"_blank\">\"Technical Challenges of Enterprise Imaging: HIMSS-SIIM Collaborative White Paper\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>29<\/b> (5): 583\u2013614. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-016-9899-4\" target=\"_blank\">10.1007\/s10278-016-9899-4<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5023533\/\" target=\"_blank\">PMC5023533<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/27576909\" target=\"_blank\">27576909<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-016-9899-4\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-016-9899-4<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Technical+Challenges+of+Enterprise+Imaging%3A+HIMSS-SIIM+Collaborative+White+Paper&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Clunie&rft.aufirst=David+A.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Dennison%2C%26%2332%3BDon+K.&rft.au=Cram%2C%26%2332%3BDawn&rft.au=Persons%2C%26%2332%3BKenneth+R.&rft.au=Bronkalla%2C%26%2332%3BMark+D.&rft.au=Primo%2C%26%2332%3BHenri+%E2%80%9CRik%E2%80%9D&rft.date=1+October+2016&rft.volume=29&rft.issue=5&rft.pages=583%E2%80%93614&rft_id=info:doi\/10.1007%2Fs10278-016-9899-4&rft.issn=0897-1889&rft_id=info:pmc\/PMC5023533&rft_id=info:pmid\/27576909&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-016-9899-4&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Roth, Christopher J.; Lannum, Louis M.; Persons, Kenneth R. (1 October 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-016-9882-0\" target=\"_blank\">\"A Foundation for Enterprise Imaging: HIMSS-SIIM Collaborative White Paper\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>29<\/b> (5): 530\u2013538. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-016-9882-0\" target=\"_blank\">10.1007\/s10278-016-9882-0<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5023525\/\" target=\"_blank\">PMC5023525<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/27245774\" target=\"_blank\">27245774<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-016-9882-0\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-016-9882-0<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Foundation+for+Enterprise+Imaging%3A+HIMSS-SIIM+Collaborative+White+Paper&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Roth&rft.aufirst=Christopher+J.&rft.au=Roth%2C%26%2332%3BChristopher+J.&rft.au=Lannum%2C%26%2332%3BLouis+M.&rft.au=Persons%2C%26%2332%3BKenneth+R.&rft.date=1+October+2016&rft.volume=29&rft.issue=5&rft.pages=530%E2%80%93538&rft_id=info:doi\/10.1007%2Fs10278-016-9882-0&rft.issn=0897-1889&rft_id=info:pmc\/PMC5023525&rft_id=info:pmid\/27245774&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-016-9882-0&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-23\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_23-0\">23.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_23-1\">23.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Clunie, David A.; Flanders, Adam; Taylor, Adam; Erickson, Brad; Bialecki, Brian; Brundage, David; Gutman, David; Prior, Fred <i>et al.<\/i> (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/arxiv.org\/abs\/2303.10473\" target=\"_blank\">\"Report of the Medical Image De-Identification (MIDI) Task Group -- Best Practices and Recommendations\"<\/a>. <i>arXiv<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.48550%2FARXIV.2303.10473\" target=\"_blank\">10.48550\/ARXIV.2303.10473<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/arxiv.org\/abs\/2303.10473\" target=\"_blank\">https:\/\/arxiv.org\/abs\/2303.10473<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Report+of+the+Medical+Image+De-Identification+%28MIDI%29+Task+Group+--+Best+Practices+and+Recommendations&rft.jtitle=arXiv&rft.aulast=Clunie&rft.aufirst=David+A.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Flanders%2C%26%2332%3BAdam&rft.au=Taylor%2C%26%2332%3BAdam&rft.au=Erickson%2C%26%2332%3BBrad&rft.au=Bialecki%2C%26%2332%3BBrian&rft.au=Brundage%2C%26%2332%3BDavid&rft.au=Gutman%2C%26%2332%3BDavid&rft.au=Prior%2C%26%2332%3BFred&rft.au=Seibert%2C%26%2332%3BJ+Anthony&rft.date=2023&rft_id=info:doi\/10.48550%2FARXIV.2303.10473&rft_id=https%3A%2F%2Farxiv.org%2Fabs%2F2303.10473&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-24\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_24-0\">24.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_24-1\">24.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Neu, Scott C.; Crawford, Karen L.; Toga, Arthur W. (2012). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journal.frontiersin.org\/article\/10.3389\/fninf.2012.00008\/abstract\" target=\"_blank\">\"Practical management of heterogeneous neuroimaging metadata by global neuroimaging data repositories\"<\/a>. <i>Frontiers in Neuroinformatics<\/i> <b>6<\/b>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3389%2Ffninf.2012.00008\" target=\"_blank\">10.3389\/fninf.2012.00008<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1662-5196\" target=\"_blank\">1662-5196<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3311229\/\" target=\"_blank\">PMC3311229<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/22470336\" target=\"_blank\">22470336<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journal.frontiersin.org\/article\/10.3389\/fninf.2012.00008\/abstract\" target=\"_blank\">http:\/\/journal.frontiersin.org\/article\/10.3389\/fninf.2012.00008\/abstract<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Practical+management+of+heterogeneous+neuroimaging+metadata+by+global+neuroimaging+data+repositories&rft.jtitle=Frontiers+in+Neuroinformatics&rft.aulast=Neu&rft.aufirst=Scott+C.&rft.au=Neu%2C%26%2332%3BScott+C.&rft.au=Crawford%2C%26%2332%3BKaren+L.&rft.au=Toga%2C%26%2332%3BArthur+W.&rft.date=2012&rft.volume=6&rft_id=info:doi\/10.3389%2Ffninf.2012.00008&rft.issn=1662-5196&rft_id=info:pmc\/PMC3311229&rft_id=info:pmid\/22470336&rft_id=http%3A%2F%2Fjournal.frontiersin.org%2Farticle%2F10.3389%2Ffninf.2012.00008%2Fabstract&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Li, Xiangrui; Morgan, Paul S.; Ashburner, John; Smith, Jolinda; Rorden, Christopher (1 May 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165027016300073\" target=\"_blank\">\"The first step for neuroimaging data analysis: DICOM to NIfTI conversion\"<\/a> (in en). <i>Journal of Neuroscience Methods<\/i> <b>264<\/b>: 47\u201356. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jneumeth.2016.03.001\" target=\"_blank\">10.1016\/j.jneumeth.2016.03.001<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165027016300073\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165027016300073<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+first+step+for+neuroimaging+data+analysis%3A+DICOM+to+NIfTI+conversion&rft.jtitle=Journal+of+Neuroscience+Methods&rft.aulast=Li&rft.aufirst=Xiangrui&rft.au=Li%2C%26%2332%3BXiangrui&rft.au=Morgan%2C%26%2332%3BPaul+S.&rft.au=Ashburner%2C%26%2332%3BJohn&rft.au=Smith%2C%26%2332%3BJolinda&rft.au=Rorden%2C%26%2332%3BChristopher&rft.date=1+May+2016&rft.volume=264&rft.pages=47%E2%80%9356&rft_id=info:doi\/10.1016%2Fj.jneumeth.2016.03.001&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0165027016300073&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-26\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_26-0\">26.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_26-1\">26.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kompan, I. (2021). \"Implementation of DICOM Parametric Maps for Perfusion MRI\". <i>Proceedings of the MRI Together 2021\u2013Session A1, Online Presentation<\/i>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Implementation+of+DICOM+Parametric+Maps+for+Perfusion+MRI&rft.jtitle=Proceedings+of+the+MRI+Together+2021%E2%80%93Session+A1%2C+Online+Presentation&rft.aulast=Kompan%2C+I.&rft.au=Kompan%2C+I.&rft.date=2021&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-27\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Shin, Han-Back; Sheen, Heesoon; Lee, Ho-Young; Kang, Jihoon; Yoon, Do-Kun; Suh, Tae Suk (1 December 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1120179717301795\" target=\"_blank\">\"Digital Imaging and Communications in Medicine (DICOM) information conversion procedure for SUV calculation of PET scanners with different DICOM header information\"<\/a> (in en). <i>Physica Medica<\/i> <b>44<\/b>: 243\u2013248. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.ejmp.2017.05.063\" target=\"_blank\">10.1016\/j.ejmp.2017.05.063<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1120179717301795\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1120179717301795<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Digital+Imaging+and+Communications+in+Medicine+%28DICOM%29+information+conversion+procedure+for+SUV+calculation+of+PET+scanners+with+different+DICOM+header+information&rft.jtitle=Physica+Medica&rft.aulast=Shin&rft.aufirst=Han-Back&rft.au=Shin%2C%26%2332%3BHan-Back&rft.au=Sheen%2C%26%2332%3BHeesoon&rft.au=Lee%2C%26%2332%3BHo-Young&rft.au=Kang%2C%26%2332%3BJihoon&rft.au=Yoon%2C%26%2332%3BDo-Kun&rft.au=Suh%2C%26%2332%3BTae+Suk&rft.date=1+December+2017&rft.volume=44&rft.pages=243%E2%80%93248&rft_id=info:doi\/10.1016%2Fj.ejmp.2017.05.063&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1120179717301795&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-28\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-28\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Freymann, John B.; Kirby, Justin S.; Perry, John H.; Clunie, David A.; Jaffe, C. Carl (1 February 2012). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-011-9422-x\" target=\"_blank\">\"Image Data Sharing for Biomedical Research\u2014Meeting HIPAA Requirements for De-identification\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>25<\/b> (1): 14\u201324. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-011-9422-x\" target=\"_blank\">10.1007\/s10278-011-9422-x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3264712\/\" target=\"_blank\">PMC3264712<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/22038512\" target=\"_blank\">22038512<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-011-9422-x\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-011-9422-x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Image+Data+Sharing+for+Biomedical+Research%E2%80%94Meeting+HIPAA+Requirements+for+De-identification&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Freymann&rft.aufirst=John+B.&rft.au=Freymann%2C%26%2332%3BJohn+B.&rft.au=Kirby%2C%26%2332%3BJustin+S.&rft.au=Perry%2C%26%2332%3BJohn+H.&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Jaffe%2C%26%2332%3BC.+Carl&rft.date=1+February+2012&rft.volume=25&rft.issue=1&rft.pages=14%E2%80%9324&rft_id=info:doi\/10.1007%2Fs10278-011-9422-x&rft.issn=0897-1889&rft_id=info:pmc\/PMC3264712&rft_id=info:pmid\/22038512&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-011-9422-x&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-29\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-29\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Moore, Stephen M.; Maffitt, David R.; Smith, Kirk E.; Kirby, Justin S.; Clark, Kenneth W.; Freymann, John B.; Vendt, Bruce A.; Tarbox, Lawrence R. <i>et al.<\/i> (1 May 2015). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/pubs.rsna.org\/doi\/10.1148\/rg.2015140244\" target=\"_blank\">\"De-identification of Medical Images with Retention of Scientific Research Value\"<\/a> (in en). <i>RadioGraphics<\/i> <b>35<\/b> (3): 727\u2013735. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1148%2Frg.2015140244\" target=\"_blank\">10.1148\/rg.2015140244<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0271-5333\" target=\"_blank\">0271-5333<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4450976\/\" target=\"_blank\">PMC4450976<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25969931\" target=\"_blank\">25969931<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/pubs.rsna.org\/doi\/10.1148\/rg.2015140244\" target=\"_blank\">http:\/\/pubs.rsna.org\/doi\/10.1148\/rg.2015140244<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=De-identification+of+Medical+Images+with+Retention+of+Scientific+Research+Value&rft.jtitle=RadioGraphics&rft.aulast=Moore&rft.aufirst=Stephen+M.&rft.au=Moore%2C%26%2332%3BStephen+M.&rft.au=Maffitt%2C%26%2332%3BDavid+R.&rft.au=Smith%2C%26%2332%3BKirk+E.&rft.au=Kirby%2C%26%2332%3BJustin+S.&rft.au=Clark%2C%26%2332%3BKenneth+W.&rft.au=Freymann%2C%26%2332%3BJohn+B.&rft.au=Vendt%2C%26%2332%3BBruce+A.&rft.au=Tarbox%2C%26%2332%3BLawrence+R.&rft.au=Prior%2C%26%2332%3BFred+W.&rft.date=1+May+2015&rft.volume=35&rft.issue=3&rft.pages=727%E2%80%93735&rft_id=info:doi\/10.1148%2Frg.2015140244&rft.issn=0271-5333&rft_id=info:pmc\/PMC4450976&rft_id=info:pmid\/25969931&rft_id=http%3A%2F%2Fpubs.rsna.org%2Fdoi%2F10.1148%2Frg.2015140244&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-30\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-30\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Larobina, Michele; Murino, Loredana (1 April 2014). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-013-9657-9\" target=\"_blank\">\"Medical Image File Formats\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>27<\/b> (2): 200\u2013206. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-013-9657-9\" target=\"_blank\">10.1007\/s10278-013-9657-9<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3948928\/\" target=\"_blank\">PMC3948928<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/24338090\" target=\"_blank\">24338090<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10278-013-9657-9\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10278-013-9657-9<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Medical+Image+File+Formats&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Larobina&rft.aufirst=Michele&rft.au=Larobina%2C%26%2332%3BMichele&rft.au=Murino%2C%26%2332%3BLoredana&rft.date=1+April+2014&rft.volume=27&rft.issue=2&rft.pages=200%E2%80%93206&rft_id=info:doi\/10.1007%2Fs10278-013-9657-9&rft.issn=0897-1889&rft_id=info:pmc\/PMC3948928&rft_id=info:pmid\/24338090&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-013-9657-9&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-31\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-31\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fedorov, Andriy; Clunie, David; Ulrich, Ethan; Bauer, Christian; Wahle, Andreas; Brown, Bartley; Onken, Michael; Riesmeier, J\u00f6rg <i>et al.<\/i> (24 May 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/peerj.com\/articles\/2057\" target=\"_blank\">\"DICOM for quantitative imaging biomarker development: a standards based approach to sharing clinical data and structured PET\/CT analysis results in head and neck cancer research\"<\/a> (in en). <i>PeerJ<\/i> <b>4<\/b>: e2057. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.7717%2Fpeerj.2057\" target=\"_blank\">10.7717\/peerj.2057<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2167-8359\" target=\"_blank\">2167-8359<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4888317\/\" target=\"_blank\">PMC4888317<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/27257542\" target=\"_blank\">27257542<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/peerj.com\/articles\/2057\" target=\"_blank\">https:\/\/peerj.com\/articles\/2057<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=DICOM+for+quantitative+imaging+biomarker+development%3A+a+standards+based+approach+to+sharing+clinical+data+and+structured+PET%2FCT+analysis+results+in+head+and+neck+cancer+research&rft.jtitle=PeerJ&rft.aulast=Fedorov&rft.aufirst=Andriy&rft.au=Fedorov%2C%26%2332%3BAndriy&rft.au=Clunie%2C%26%2332%3BDavid&rft.au=Ulrich%2C%26%2332%3BEthan&rft.au=Bauer%2C%26%2332%3BChristian&rft.au=Wahle%2C%26%2332%3BAndreas&rft.au=Brown%2C%26%2332%3BBartley&rft.au=Onken%2C%26%2332%3BMichael&rft.au=Riesmeier%2C%26%2332%3BJ%C3%B6rg&rft.au=Pieper%2C%26%2332%3BSteve&rft.date=24+May+2016&rft.volume=4&rft.pages=e2057&rft_id=info:doi\/10.7717%2Fpeerj.2057&rft.issn=2167-8359&rft_id=info:pmc\/PMC4888317&rft_id=info:pmid\/27257542&rft_id=https%3A%2F%2Fpeerj.com%2Farticles%2F2057&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-32\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-32\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bridge, Christopher P.; Gorman, Chris; Pieper, Steven; Doyle, Sean W.; Lennerz, Jochen K.; Kalpathy-Cramer, Jayashree; Clunie, David A.; Fedorov, Andriy Y. <i>et al.<\/i> (1 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.springer.com\/10.1007\/s10278-022-00683-y\" target=\"_blank\">\"Highdicom: a Python Library for Standardized Encoding of Image Annotations and Machine Learning Model Outputs in Pathology and Radiology\"<\/a> (in en). <i>Journal of Digital Imaging<\/i> <b>35<\/b> (6): 1719\u20131737. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10278-022-00683-y\" target=\"_blank\">10.1007\/s10278-022-00683-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0897-1889\" target=\"_blank\">0897-1889<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9712874\/\" target=\"_blank\">PMC9712874<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35995898\" target=\"_blank\">35995898<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.springer.com\/10.1007\/s10278-022-00683-y\" target=\"_blank\">https:\/\/link.springer.com\/10.1007\/s10278-022-00683-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Highdicom%3A+a+Python+Library+for+Standardized+Encoding+of+Image+Annotations+and+Machine+Learning+Model+Outputs+in+Pathology+and+Radiology&rft.jtitle=Journal+of+Digital+Imaging&rft.aulast=Bridge&rft.aufirst=Christopher+P.&rft.au=Bridge%2C%26%2332%3BChristopher+P.&rft.au=Gorman%2C%26%2332%3BChris&rft.au=Pieper%2C%26%2332%3BSteven&rft.au=Doyle%2C%26%2332%3BSean+W.&rft.au=Lennerz%2C%26%2332%3BJochen+K.&rft.au=Kalpathy-Cramer%2C%26%2332%3BJayashree&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Fedorov%2C%26%2332%3BAndriy+Y.&rft.au=Herrmann%2C%26%2332%3BMarkus+D.&rft.date=1+December+2022&rft.volume=35&rft.issue=6&rft.pages=1719%E2%80%931737&rft_id=info:doi\/10.1007%2Fs10278-022-00683-y&rft.issn=0897-1889&rft_id=info:pmc\/PMC9712874&rft_id=info:pmid\/35995898&rft_id=https%3A%2F%2Flink.springer.com%2F10.1007%2Fs10278-022-00683-y&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-33\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-33\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Larobina, M. (2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/doi.org\/10.1400\/19277\" target=\"_blank\">\"The DICOM File Format : Postprocessing Features in MRI\"<\/a>. <i>Physica medica : European Journal of Medical Physics<\/i> (4). <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1400%2F19277\" target=\"_blank\">10.1400\/19277<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.1400\/19277\" target=\"_blank\">https:\/\/doi.org\/10.1400\/19277<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+DICOM+File+Format+%3A+Postprocessing+Features+in+MRI&rft.jtitle=Physica+medica+%3A+European+Journal+of+Medical+Physics&rft.aulast=Larobina&rft.aufirst=M.&rft.au=Larobina%2C%26%2332%3BM.&rft.date=2003&rft.issue=4&rft_id=info:doi\/10.1400%2F19277&rft_id=https%3A%2F%2Fdoi.org%2F10.1400%2F19277&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-34\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-34\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gorgolewski, Krzysztof J.; Auer, Tibor; Calhoun, Vince D.; Craddock, R. Cameron; Das, Samir; Duff, Eugene P.; Flandin, Guillaume; Ghosh, Satrajit S. <i>et al.<\/i> (21 June 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/sdata201644\" target=\"_blank\">\"The brain imaging data structure, a format for organizing and describing outputs of neuroimaging experiments\"<\/a> (in en). <i>Scientific Data<\/i> <b>3<\/b> (1): 160044. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fsdata.2016.44\" target=\"_blank\">10.1038\/sdata.2016.44<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4978148\/\" target=\"_blank\">PMC4978148<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/27326542\" target=\"_blank\">27326542<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/sdata201644\" target=\"_blank\">https:\/\/www.nature.com\/articles\/sdata201644<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+brain+imaging+data+structure%2C+a+format+for+organizing+and+describing+outputs+of+neuroimaging+experiments&rft.jtitle=Scientific+Data&rft.aulast=Gorgolewski&rft.aufirst=Krzysztof+J.&rft.au=Gorgolewski%2C%26%2332%3BKrzysztof+J.&rft.au=Auer%2C%26%2332%3BTibor&rft.au=Calhoun%2C%26%2332%3BVince+D.&rft.au=Craddock%2C%26%2332%3BR.+Cameron&rft.au=Das%2C%26%2332%3BSamir&rft.au=Duff%2C%26%2332%3BEugene+P.&rft.au=Flandin%2C%26%2332%3BGuillaume&rft.au=Ghosh%2C%26%2332%3BSatrajit+S.&rft.au=Glatard%2C%26%2332%3BTristan&rft.date=21+June+2016&rft.volume=3&rft.issue=1&rft.pages=160044&rft_id=info:doi\/10.1038%2Fsdata.2016.44&rft.issn=2052-4463&rft_id=info:pmc\/PMC4978148&rft_id=info:pmid\/27326542&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fsdata201644&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-35\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-35\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Dean, Phillip; Mascio, Laura; Ow, David; Sudar, Damir; Mullikin, James (1990). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cyto.990110502\" target=\"_blank\">\"Proposed standard for image cytometry data files\"<\/a> (in en). <i>Cytometry<\/i> <b>11<\/b> (5): 561\u2013569. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fcyto.990110502\" target=\"_blank\">10.1002\/cyto.990110502<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0196-4763\" target=\"_blank\">0196-4763<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cyto.990110502\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cyto.990110502<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Proposed+standard+for+image+cytometry+data+files&rft.jtitle=Cytometry&rft.aulast=Dean&rft.aufirst=Phillip&rft.au=Dean%2C%26%2332%3BPhillip&rft.au=Mascio%2C%26%2332%3BLaura&rft.au=Ow%2C%26%2332%3BDavid&rft.au=Sudar%2C%26%2332%3BDamir&rft.au=Mullikin%2C%26%2332%3BJames&rft.date=1990&rft.volume=11&rft.issue=5&rft.pages=561%E2%80%93569&rft_id=info:doi\/10.1002%2Fcyto.990110502&rft.issn=0196-4763&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fcyto.990110502&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-36\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-36\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cradduck, T. D.; Bailey, D. L.; Hutton, B. F.; Conninck, F. De; Busemann-Sokole, E.; Bergmann, H.; Noelpp, U. (1 October 1989). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.lww.com\/00006231-198910000-00002\" target=\"_blank\">\"A standard protocol for the exchange of nuclear medicine image files:\"<\/a> (in en). <i>Nuclear Medicine Communications<\/i> <b>10<\/b> (10): 703\u2013714. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1097%2F00006231-198910000-00002\" target=\"_blank\">10.1097\/00006231-198910000-00002<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0143-3636\" target=\"_blank\">0143-3636<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.lww.com\/00006231-198910000-00002\" target=\"_blank\">http:\/\/journals.lww.com\/00006231-198910000-00002<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+standard+protocol+for+the+exchange+of+nuclear+medicine+image+files%3A&rft.jtitle=Nuclear+Medicine+Communications&rft.aulast=Cradduck&rft.aufirst=T.+D.&rft.au=Cradduck%2C%26%2332%3BT.+D.&rft.au=Bailey%2C%26%2332%3BD.+L.&rft.au=Hutton%2C%26%2332%3BB.+F.&rft.au=Conninck%2C%26%2332%3BF.+De&rft.au=Busemann-Sokole%2C%26%2332%3BE.&rft.au=Bergmann%2C%26%2332%3BH.&rft.au=Noelpp%2C%26%2332%3BU.&rft.date=1+October+1989&rft.volume=10&rft.issue=10&rft.pages=703%E2%80%93714&rft_id=info:doi\/10.1097%2F00006231-198910000-00002&rft.issn=0143-3636&rft_id=http%3A%2F%2Fjournals.lww.com%2F00006231-198910000-00002&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-37\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-37\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Goldberg, Ilya G; Allan, Chris; Burel, Jean-Marie; Creager, Doug; Falconi, Andrea; Hochheiser, Harry; Johnston, Josiah; Mellen, Jeff <i>et al.<\/i> (2005). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/genomebiology.biomedcentral.com\/articles\/10.1186\/gb-2005-6-5-r47\" target=\"_blank\">\"[No title found<\/a>\"]. <i>Genome Biology<\/i> <b>6<\/b> (5): R47. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fgb-2005-6-5-r47\" target=\"_blank\">10.1186\/gb-2005-6-5-r47<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC1175959\/\" target=\"_blank\">PMC1175959<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/15892875\" target=\"_blank\">15892875<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/genomebiology.biomedcentral.com\/articles\/10.1186\/gb-2005-6-5-r47\" target=\"_blank\">http:\/\/genomebiology.biomedcentral.com\/articles\/10.1186\/gb-2005-6-5-r47<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=%5BNo+title+found%5D&rft.jtitle=Genome+Biology&rft.aulast=Goldberg&rft.aufirst=Ilya+G&rft.au=Goldberg%2C%26%2332%3BIlya+G&rft.au=Allan%2C%26%2332%3BChris&rft.au=Burel%2C%26%2332%3BJean-Marie&rft.au=Creager%2C%26%2332%3BDoug&rft.au=Falconi%2C%26%2332%3BAndrea&rft.au=Hochheiser%2C%26%2332%3BHarry&rft.au=Johnston%2C%26%2332%3BJosiah&rft.au=Mellen%2C%26%2332%3BJeff&rft.au=Sorger%2C%26%2332%3BPeter+K&rft.date=2005&rft.volume=6&rft.issue=5&rft.pages=R47&rft_id=info:doi\/10.1186%2Fgb-2005-6-5-r47&rft_id=info:pmc\/PMC1175959&rft_id=info:pmid\/15892875&rft_id=http%3A%2F%2Fgenomebiology.biomedcentral.com%2Farticles%2F10.1186%2Fgb-2005-6-5-r47&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-38\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-38\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Moore, Josh; Basurto-Lozada, Daniela; Besson, S\u00e9bastien; Bogovic, John; Bragantini, Jord\u00e3o; Brown, Eva M.; Burel, Jean-Marie; Casas Moreno, Xavier <i>et al.<\/i> (1 September 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.springer.com\/10.1007\/s00418-023-02209-1\" target=\"_blank\">\"OME-Zarr: a cloud-optimized bioimaging file format with international community support\"<\/a> (in en). <i>Histochemistry and Cell Biology<\/i> <b>160<\/b> (3): 223\u2013251. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00418-023-02209-1\" target=\"_blank\">10.1007\/s00418-023-02209-1<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0948-6143\" target=\"_blank\">0948-6143<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC10492740\/\" target=\"_blank\">PMC10492740<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/37428210\" target=\"_blank\">37428210<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.springer.com\/10.1007\/s00418-023-02209-1\" target=\"_blank\">https:\/\/link.springer.com\/10.1007\/s00418-023-02209-1<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=OME-Zarr%3A+a+cloud-optimized+bioimaging+file+format+with+international+community+support&rft.jtitle=Histochemistry+and+Cell+Biology&rft.aulast=Moore&rft.aufirst=Josh&rft.au=Moore%2C%26%2332%3BJosh&rft.au=Basurto-Lozada%2C%26%2332%3BDaniela&rft.au=Besson%2C%26%2332%3BS%C3%A9bastien&rft.au=Bogovic%2C%26%2332%3BJohn&rft.au=Bragantini%2C%26%2332%3BJord%C3%A3o&rft.au=Brown%2C%26%2332%3BEva+M.&rft.au=Burel%2C%26%2332%3BJean-Marie&rft.au=Casas+Moreno%2C%26%2332%3BXavier&rft.au=de+Medeiros%2C%26%2332%3BGustavo&rft.date=1+September+2023&rft.volume=160&rft.issue=3&rft.pages=223%E2%80%93251&rft_id=info:doi\/10.1007%2Fs00418-023-02209-1&rft.issn=0948-6143&rft_id=info:pmc\/PMC10492740&rft_id=info:pmid\/37428210&rft_id=https%3A%2F%2Flink.springer.com%2F10.1007%2Fs00418-023-02209-1&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-39\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-39\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fedorov, Andrey; Longabaugh, William J.R.; Pot, David; Clunie, David A.; Pieper, Steve; Aerts, Hugo J.W.L.; Homeyer, Andr\u00e9; Lewis, Rob <i>et al.<\/i> (15 August 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/aacrjournals.org\/cancerres\/article\/81\/16\/4188\/670283\/NCI-Imaging-Data-CommonsNCI-Imaging-Data-Commons\" target=\"_blank\">\"NCI Imaging Data Commons\"<\/a> (in en). <i>Cancer Research<\/i> <b>81<\/b> (16): 4188\u20134193. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1158%2F0008-5472.CAN-21-0950\" target=\"_blank\">10.1158\/0008-5472.CAN-21-0950<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0008-5472\" target=\"_blank\">0008-5472<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8373794\/\" target=\"_blank\">PMC8373794<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34185678\" target=\"_blank\">34185678<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/aacrjournals.org\/cancerres\/article\/81\/16\/4188\/670283\/NCI-Imaging-Data-CommonsNCI-Imaging-Data-Commons\" target=\"_blank\">https:\/\/aacrjournals.org\/cancerres\/article\/81\/16\/4188\/670283\/NCI-Imaging-Data-CommonsNCI-Imaging-Data-Commons<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NCI+Imaging+Data+Commons&rft.jtitle=Cancer+Research&rft.aulast=Fedorov&rft.aufirst=Andrey&rft.au=Fedorov%2C%26%2332%3BAndrey&rft.au=Longabaugh%2C%26%2332%3BWilliam+J.R.&rft.au=Pot%2C%26%2332%3BDavid&rft.au=Clunie%2C%26%2332%3BDavid+A.&rft.au=Pieper%2C%26%2332%3BSteve&rft.au=Aerts%2C%26%2332%3BHugo+J.W.L.&rft.au=Homeyer%2C%26%2332%3BAndr%C3%A9&rft.au=Lewis%2C%26%2332%3BRob&rft.au=Akbarzadeh%2C%26%2332%3BAfshin&rft.date=15+August+2021&rft.volume=81&rft.issue=16&rft.pages=4188%E2%80%934193&rft_id=info:doi\/10.1158%2F0008-5472.CAN-21-0950&rft.issn=0008-5472&rft_id=info:pmc\/PMC8373794&rft_id=info:pmid\/34185678&rft_id=https%3A%2F%2Faacrjournals.org%2Fcancerres%2Farticle%2F81%2F16%2F4188%2F670283%2FNCI-Imaging-Data-CommonsNCI-Imaging-Data-Commons&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-40\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-40\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cheng, Anchi; Henderson, Richard; Mastronarde, David; Ludtke, Steven J.; Schoenmakers, Remco H.M.; Short, Judith; Marabini, Roberto; Dallakyan, Sargis <i>et al.<\/i> (1 November 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S104784771500074X\" target=\"_blank\">\"MRC2014: Extensions to the MRC format header for electron cryo-microscopy and tomography\"<\/a> (in en). <i>Journal of Structural Biology<\/i> <b>192<\/b> (2): 146\u2013150. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jsb.2015.04.002\" target=\"_blank\">10.1016\/j.jsb.2015.04.002<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4642651\/\" target=\"_blank\">PMC4642651<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25882513\" target=\"_blank\">25882513<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S104784771500074X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S104784771500074X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=MRC2014%3A+Extensions+to+the+MRC+format+header+for+electron+cryo-microscopy+and+tomography&rft.jtitle=Journal+of+Structural+Biology&rft.aulast=Cheng&rft.aufirst=Anchi&rft.au=Cheng%2C%26%2332%3BAnchi&rft.au=Henderson%2C%26%2332%3BRichard&rft.au=Mastronarde%2C%26%2332%3BDavid&rft.au=Ludtke%2C%26%2332%3BSteven+J.&rft.au=Schoenmakers%2C%26%2332%3BRemco+H.M.&rft.au=Short%2C%26%2332%3BJudith&rft.au=Marabini%2C%26%2332%3BRoberto&rft.au=Dallakyan%2C%26%2332%3BSargis&rft.au=Agard%2C%26%2332%3BDavid&rft.date=1+November+2015&rft.volume=192&rft.issue=2&rft.pages=146%E2%80%93150&rft_id=info:doi\/10.1016%2Fj.jsb.2015.04.002&rft_id=info:pmc\/PMC4642651&rft_id=info:pmid\/25882513&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS104784771500074X&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-41\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-41\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Schramm, Thorsten; Hester, Zo\u00eb; Klinkert, Ivo; Both, Jean-Pierre; Heeren, Ron M.A.; Brunelle, Alain; Lapr\u00e9vote, Olivier; Desbenoit, Nicolas <i>et al.<\/i> (1 August 2012). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1874391912005568\" target=\"_blank\">\"imzML \u2014 A common data format for the flexible exchange and processing of mass spectrometry imaging data\"<\/a> (in en). <i>Journal of Proteomics<\/i> <b>75<\/b> (16): 5106\u20135110. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jprot.2012.07.026\" target=\"_blank\">10.1016\/j.jprot.2012.07.026<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1874391912005568\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1874391912005568<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=imzML+%E2%80%94+A+common+data+format+for+the+flexible+exchange+and+processing+of+mass+spectrometry+imaging+data&rft.jtitle=Journal+of+Proteomics&rft.aulast=Schramm&rft.aufirst=Thorsten&rft.au=Schramm%2C%26%2332%3BThorsten&rft.au=Hester%2C%26%2332%3BZo%C3%AB&rft.au=Klinkert%2C%26%2332%3BIvo&rft.au=Both%2C%26%2332%3BJean-Pierre&rft.au=Heeren%2C%26%2332%3BRon+M.A.&rft.au=Brunelle%2C%26%2332%3BAlain&rft.au=Lapr%C3%A9vote%2C%26%2332%3BOlivier&rft.au=Desbenoit%2C%26%2332%3BNicolas&rft.au=Robbe%2C%26%2332%3BMarie-France&rft.date=1+August+2012&rft.volume=75&rft.issue=16&rft.pages=5106%E2%80%935110&rft_id=info:doi\/10.1016%2Fj.jprot.2012.07.026&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1874391912005568&rfr_id=info:sid\/en.wikipedia.org:Journal:Thirty_years_of_the_DICOM_standard\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation, spelling, and grammar. In some cases important information was missing from the references, and that information was added. The original put information into a Table 2 that didn't need to be in a table; it was made into a bulleted list for this version.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104053158\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.813 seconds\nReal time usage: 0.932 seconds\nPreprocessor visited node count: 43403\/1000000\nPost\u2010expand include size: 380857\/2097152 bytes\nTemplate argument size: 108005\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 101062\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 680.102 1 -total\n 88.51% 601.961 1 Template:Reflist\n 71.87% 488.784 41 Template:Citation\/core\n 66.95% 455.351 33 Template:Cite_journal\n 11.29% 76.772 35 Template:Date\n 10.47% 71.178 95 Template:Citation\/identifier\n 7.82% 53.199 6 Template:Cite_web\n 6.80% 46.222 1 Template:Infobox_journal_article\n 5.88% 39.963 1 Template:Infobox\n 3.34% 22.696 190 Template:Hide_in_print\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14401-0!canonical and timestamp 20240104053157 and revision id 53101. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Thirty_years_of_the_DICOM_standard\">https:\/\/www.limswiki.org\/index.php\/Journal:Thirty_years_of_the_DICOM_standard<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","cf0fc8c408f510ef1d412d315a3bab7f_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8f\/Fig1_Larobina_Tomography23_9-5.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/cd\/Fig2_Larobina_Tomography23_9-5.png"],"cf0fc8c408f510ef1d412d315a3bab7f_timestamp":1704389296,"364760e880a056f2ab5d0e7bb21b9f58_type":"article","364760e880a056f2ab5d0e7bb21b9f58_title":"An extract-transform-load process design for the incremental loading of German real-world data based on FHIR and OMOP CDM: Algorithm development and validation (Henke et al. 2023)","364760e880a056f2ab5d0e7bb21b9f58_url":"https:\/\/www.limswiki.org\/index.php\/Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation","364760e880a056f2ab5d0e7bb21b9f58_plaintext":"\n\nJournal:An extract-transform-load process design for the incremental loading of German real-world data based on FHIR and OMOP CDM: Algorithm development and validationFrom LIMSWikiJump to navigationJump to searchFull article title\n \nAn extract-transform-load process design for the incremental loading of German real-world data based on FHIR and OMOP CDM: Algorithm development and validationJournal\n \nJMIR Medical InformaticsAuthor(s)\n \nHenke, Elisa; Peng, Yuan; Reinecke, Ines; Zoch, Mich\u00e9le; Sedlmayr, Martin; Bathelt, FranziskaAuthor affiliation(s)\n \nTechnische Universit\u00e4t DresdenPrimary contact\n \nEmail: elisa dot henke at tu dash dresden dot deEditors\n \nLovis, ChristianYear published\n \n2023Volume and issue\n \n11Article #\n \ne47310DOI\n \n10.2196\/47310ISSN\n \n2291-9694Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/medinform.jmir.org\/2023\/1\/e47310Download\n \nhttps:\/\/medinform.jmir.org\/2023\/1\/e47310\/PDF (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n\n2.1 Background and significance \n2.2 Objective \n\n\n3 Methods \n\n3.1 Analysis of the Existing ETL FHIR-to-OMOP process \n3.2 Literature review \n3.3 Incremental ETL process design \n\n3.3.1 Enabling both bulk and incremental loading \n3.3.2 Focusing on CUD-FHIR resources since the last ETL execution \n3.3.3 Guarantee data correctness in OMOP CDM \n\n\n3.4 Evaluation of the incremental load process \n\n\n4 Results \n\n4.1 Architecture of the ETL process \n4.2 Findings of the first ETL test \n4.3 Findings of the second ETL test \n\n\n5 Discussion \n\n5.1 Principal findings \n5.2 Limitations \n\n\n6 Conclusions \n7 Abbreviations, acronyms, and initialisms \n8 Supplementary information \n9 Acknowledgements \n\n9.1 Author contributions \n9.2 Conflicts of interest \n\n\n10 References \n11 Notes \n\n\n\nAbstract \nBackground: In the Medical Informatics in Research and Care in University Medicine (MIRACUM) consortium, an IT-based clinical trial recruitment support system was developed based on the Observational Medical Outcomes Partnership (OMOP) Common Data Model (CDM). Currently, OMOP CDM is populated with German Fast Healthcare Interoperability Resources (FHIR) data using an extract-transform-load (ETL) process, which was designed as a bulk load. However, the computational effort that comes with an everyday full load is not efficient for daily recruitment.\nObjective: The aim of this study is to extend our existing ETL process with the option of incremental loading to efficiently support daily updated data.\nMethods: Based on our existing bulk ETL process, we performed an analysis to determine the requirements of incremental loading. Furthermore, a literature review was conducted to identify adaptable approaches. Based on this, we implemented three methods to integrate incremental loading into our ETL process. Lastly, a test suite was defined to evaluate the incremental loading for data correctness and performance compared to bulk loading.\nResults: The resulting ETL process supports bulk and incremental loading. Performance tests show that the incremental load took 87.5% less execution time than the bulk load (2.12 minutes compared to 17.07 minutes) related to changes of one day, while no data differences occurred in OMOP CDM.\nConclusions: Since incremental loading is more efficient than a daily bulk load, and both loading options result in the same amount of data, we recommend using bulk load for an initial load and switching to incremental load for daily updates. The resulting incremental ETL logic can be applied internationally since it is not restricted to German FHIR profiles.\nKeywords: extract-transform-load, ETL, incremental loading, OMOP CDM, FHIR, interoperability, Observational Medical Outcomes Partnership Common Data Model; Fast Healthcare Interoperability Resources \n\nIntroduction \nBackground and significance \nRandomized controlled clinical trials are the gold standard to \u201cmeasure the effectiveness of a new intervention or treatment.\u201d[1] However, randomized controlled clinical trials are limited regarding the representative number of persons included and, therefore, are restricted in their external generalizability. To gain more unbiased evidence, observational studies focus on real-world data from large heterogeneous populations.\nTo support observational research, we at the Institute for Medical Informatics and Biometry at Technische Universit\u00e4t Dresden already provide a transferable extract-transform-load (ETL) process[2] to transform German real-world data to the Observational Medical Outcomes Partnership (OMOP) Common Data Model (CDM)[3] provided by Observational Health Data Sciences and Informatics (OHDSI).[4] This transformation effort supports the possibilities for multicentric and even international studies. Due to the heterogeneity of the structure and content of the data from the data integration centers within the Medical Informatics Initiative Germany (MI-I)[5], the Health Level 7 (HL7)[6] Fast Healthcare Interoperability Resources (FHIR) communication standard was specified among all German university hospitals. Consequently, we used FHIR as the source for our ETL process. The FHIR specification is given by the core data set of the MI-I.[7] FHIR resources can be read from an FHIR Gateway[8] (PostgreSQL database) or FHIR Server (e.g., HAPI[9] or Blaze[10]). As the target of our ETL process, we used OMOP CDM v5.3.1.[11] The implementation of the ETL process was done using the open-source framework Java SpringBatch.[12] Our ETL process has been implemented in accordance with the default assumption as described in The Book of OHDSI[13], where the OHDSI community defines the ETL process as a full load to transfer data from source to target systems. \nThis approach is efficient for a dedicated study where data gets loaded once without any update afterward; however, it is inefficient when it comes to the need for updated data on a daily basis. The latter is the case for the developments around the improvement and support of the recruitment process for clinical trials, which the Medical Informatics in Research and Care in University Medicine (MIRACUM)[14] consortium, as part of the MI-I funded by the German Federal Ministry of Education and Research, is working on. In this context, an IT-based clinical trial recruitment support system (CTRSS) based on OMOP CDM was implemented.[15] The CTRSS consists of a screening list for recruitment teams that provides potential candidates for clinical trials updated on a daily base. To enable the CTRSS to provide recruitment proposals, it is necessary to transform the data in FHIR format at each site from the 10 MIRACUM data integration centers into the standardized format of OMOP CDM. The procession of FHIR resources to OMOP CDM through our ETL process has already been successfully tested and integrated at all 10 German university hospitals of the MIRACUM consortium.\nSo far, our ETL process is restricted to a bulk load of FHIR resources to OMOP CDM. This implied that all FHIR resources are read from the source. To enable the CTRSS to provide daily recruitment proposals, our ETL process has to be executed every day as a full load. However, an everyday full load is not efficient because often only a small amount of source data has changed during loading periods, which results in unnecessary long execution times considering a full load for daily executions. Consequently, the computational effort that comes with the daily execution of the bulk load is not efficient in the context of the CTRSS.\nThus, a new approach is needed to only process FHIR resources that were created, updated, or deleted (CUD) since the last execution of the ETL process once an initial load has been executed. This loading option is known as \"incremental loading.\"\n\nObjective \nTo keep the bulk load option for dedicated studies and still be performant toward daily changes in the source data, a combination of bulk load and incremental load is needed. To reduce the additional effort in implementing a second independent ETL process for incremental loading, it is our aim to extend our existing ETL process with the option of incremental loading. During our research, we focused on the following four research questions:\n\nWhat requirements need to be considered when integrating incremental loading into our existing ETL process design?\nWhat approaches already exist for incremental ETL processes?\nHow can the identified requirements from research question one be implemented in our existing ETL process design?\nDoes incremental loading provide an advantage over daily bulk loading?\nMethods \nAnalysis of the Existing ETL FHIR-to-OMOP process \nTo determine the requirements for integrating incremental loading into our existing ETL process design, we performed an impact analysis focusing on the whole ETL process, as well as, in more detail, the three main components of it, namely, Reader, Processor, and Writer, as presented by Peng et al.[2] Regarding the whole ETL process, the following three requirements were needed:\n\nRequirement A: It is necessary to provide the user with the ability to distinguish between bulk loading and incremental loading.\nRequirement B: For incremental loading, it is further essential that the Reader of the ETL process is able to detect changes in the source system and reads only CUD-FHIR resources on a daily basis.\nRequirement C: During the processing of updated and deleted FHIR resources, duplicates and obsolete data should be avoided in OMOP CDM to guarantee data correctness.\nConsidering the semantic mapping from FHIR MI-I Core Data Set (CDS) to OMOP CDM and the Writer of the ETL process, as described by Peng et al.[2], incremental loading has no impact on both. In summary, incremental loading requires an adjustment of the implementation of the Reader and Processor.\n\nLiterature review \nTo identify approaches that might be adaptable to our existing ETL design and fulfill the three requirements in the previous section, we conducted a first literature review on July 14, 2021; a second one on November 28, 2022; and a third one on February 22, 2023 (Multimedia Appendices 1, 2, and 3). Table 1 includes the search strings and the number of results for three literature databases.\n\n\n\n\n\n\n\nTable 1. Literature review: database, search string, and number of results.\n\n\nDatabase\n\nSearch string\n\nResults (n)\n\n\nPubMed\n\nAll fields: (incremental) AND ((etl) OR (extract transform load))\n\n7\n\n\nIEEE Xplore\n\n((\u201cAll Metadata\u201d: incremental) AND (\u201cAll Metadata\u201d: etl OR \u201cAll Metadata\u201d: extract transform load))\n\n15\n\n\nWeb of Science\n\nALL=(incremental) AND (ALL=(etl) OR ALL=(extract transform load))\n\n46\n\n\n\nWe included only articles from 2011 to 2022 in English. After removing duplicates, 51 items were left. These were screened independently by two authors (EH and MZ). Through the title and abstract screening, we identified 12 relevant articles. After the screening of the full texts, we included eight articles within our research. Reasons for excluding the other articles were other meanings of the abbreviation \u201cETL,\u201d ETL tools without regard to theoretical approaches of incremental loads, focus on application instead of ETL process and theoretical approach, and quality and error handling without focus on a theoretical approach.\nOnly two of the eight articles addressed ETL processes for loading patient data into OMOP CDM. Lynch et al.[16] introduced an approach for incremental transformation from the data warehouse to OMOP CDM to prevent incremental load errors. They suggest basing the development on a quality assurance (QA) process dependent on the data quality framework by Kahn et al.[17] Furthermore, they generated ETL batch tracking ids for each record of data during the transformation to OMOP CDM. For 1:1 mappings, they created custom columns in the standardized OMOP CDM tables, and for 1:n or n:1 mappings, they used a parallel mapping table to store the ETL batch id and a link to the corresponding record in OMOP CDM. Secondly, Lenert et al.[18] describe an automated transformation of clinical data into two CDMs (OMOP and PCORnet database) by using FHIR. Therefore, they use the so-called subscriptions of FHIR resources. These subscriptions trigger a function to create a copy of the FHIR resource and its transmission into another system whenever a FHIR resource is created or updated.\nDespite OMOP CDM being the target database, the literature search revealed different concepts for incremental ETL itself. Kathiravelu et al.[19] described the caching of new or updated data in a temporary table. Of the eight articles, seven described various methods for incremental updates, particularly focusing on change data capture (CDC). All describe different categories of CDC, like timestamp-based, audit column\u2013based, trigger-based, log-based, application programming interface\u2013based, and data-based snapshots[16][18][20][21][22][23][24]: (1) Lynch et al.[16] and (2) Lenert et al.[18] focused on triggers; (3) Wen[20] focused on timestamps and triggers; (4) Thulasiram and Ramaiah[21] and (5) Sun[22] focused on timestamps; (6) Hu and Dessloch[23] focused on timestamps, audit columns, logs, triggers, and snapshots; and (7) Wei Du and Zou[24] focused on snapshots and MapReduce.\nIn summary, the literature review revealed adaptable approaches, which can be applied for the implementation of requirements B and C. However, no approaches could be found in the literature for requirement A. For this reason, we have to define a new method to enable both bulk and incremental loading in one ETL process. The concrete integration of the approaches into our existing ETL design is described in more detail in the following sections.\n\nIncremental ETL process design \nEnabling both bulk and incremental loading \nFor the specification, if the ETL process should be executed as bulk or incremental load, we added a new Boolean parameter in the configuration file of the ETL process called APP_BULKLOAD_ENABLED. According to the desired loading option, the parameter has to be adjusted before executing the ETL process, with \u201ctrue\u201d results in a bulk load and \u201cfalse\u201d results in an incremental load. During the execution of the ETL process, this parameter is further taken into account for the Reader and Processor of the ETL process[2] to distinguish between the needs of bulk and incremental load (e.g., to ensure that the OMOP CDM database is not emptied at the beginning of the ETL process execution during an incremental load).\n\nFocusing on CUD-FHIR resources since the last ETL execution \nOur purpose of incremental loading was to focus only on CUD-FHIR resources since the last time the ETL process was executed (whether as bulk or incremental load). Consequently, the ETL process for incremental load has to filter only CUD-FHIR resources from the source. The literature research showed that there are various CDC approaches to detect changes in the source. In our case, FHIR resources in the FHIR Gateway and FHIR Server contain metadata, such as a timestamp indicating when an FHIR resource was created, updated, or deleted in the source (FHIR Gateway: column last_updated_at; FHIR Server: meta.lastUpdated). That is why we used the timestamp-based CDC approach to filter FHIR resources, which have a timestamp specification after the last ETL execution time.\nTo ensure filtering for the incremental load, we added two new parameters in the configuration file of the ETL process: DATA_BEGINDATE and DATA_ENDDATE. Both parameters have to be adjusted before executing the ETL process as incremental load. During the execution, the ETL process takes these two parameters into account and only reads FHIR resources from the source that has a metadata timestamp specification that is in [DATA_BEGINDATE, DATA_ENDDATE].\n\nGuarantee data correctness in OMOP CDM \nTo avoid duplicates in OMOP CDM when processing updated and deleted FHIR resources, their existence in OMOP CDM has to be checked during processing. The FHIR resources themselves do not have a flag that indicates whether they are new or have been changed. Only deleted FHIR resources can be identified by a specific flag in the metadata. To assess the existence of FHIR resources in OMOP CDM, a comparison of the data of the read FHIR resources with the data already available in OMOP CDM has to be done.\nThe literature research showed an approach to generate a unique tracking id per source data during the transformation process and its storage in OMOP CDM.[16] We decided against the approach of generating an additional id because FHIR resources already contain two identifying FHIR elements themselves: id and identifier. The id represents the logical id of the resource per resource type, while the identifier specifies an identifier that is part of the source data. Both FHIR elements allow the unique identification of an FHIR resource per resource type. However, the standardized OMOP CDM tables do not provide the possibility to store this information from FHIR. Furthermore, OMOP CDM has its own primary keys for each record in a table independent of the id and identifier used in FHIR. Consequently, after transforming FHIR resources to OMOP CDM, the identifying data from FHIR resources will be lost.\nTo solve this problem, we need to store the mapping between the id and identifier used in FHIR with the id used in OMOP CDM. Due to the fact that the id of an FHIR resource is only unique per resource type and one FHIR resource can be stored in OMOP CDM in multiple tables, we additionally have to specify the resource type. As mentioned above, Lynch et al.[16] presented an approach to store the mapping between tracking ids for source records and ids used in OMOP CDM by using a mapping table and custom columns in OMOP CDM. We have slightly customized this approach and adapted it into our ETL design. Contrary to the use of both mapping tables and custom columns, we considered each approach separately.\nOur first approach uses mapping tables for each FHIR resource type in a separate schema in OMOP CDM. With this approach, the Writer of the ETL process has to fill additional mapping tables beside the standardized tables in OMOP CDM. Our second approach focuses on two new columns in the standardized tables in OMOP CDM called \u201cfhir_logical_id\u201d and \u201cfhir_identifier.\u201d These columns store the id and identifier of the FHIR resource. Furthermore, we appended an abbreviation of the resource type as a prefix to the id and identifier of FHIR (eg, \u201cmed-\u201d for Medication, \u201cmea-\u201d for MedicationAdministration, or \u201cmes-\u201d for MedicationStatement FHIR resources). In consequence, the combination of the prefix with the id and identifier and its storage in OMOP CDM enables the unique identification of FHIR resources in OMOP CDM. Since the mapping tables and two new columns are required exclusively for the ETL process, the analysis of data across multiple OMOP CDM databases is not affected.\nBased on the unique identification of FHIR resources in OMOP CDM, it is now possible to guarantee data correctness in OMOP CDM during incremental loading. Figure 1 shows the exemplary data flow for Condition FHIR resources for the second approach with two new columns. First, the Processor extracts the id and identifier used in FHIR. After that, the prefix is added to both values. Regardless of whether the data was created, updated, or deleted in the source, the ETL process next verifies each processed FHIR resource\u2019s existence in OMOP CDM using the mapping tables or two new columns. During the verification, records are deleted in OMOP CDM if they were found. This approach is also used for updated FHIR resources to avoid incomplete updates for cross-domain mappings in OMOP CDM. Consequently, we do not perform updates on the existing records in OMOP CDM except Patient and Encounter FHIR resources to ensure referential integrity in OMOP CDM. In case FHIR resources are marked as deleted in the source, the processing is completed. Otherwise, the same semantic mapping logic as for bulk loading[2] applies afterward, and the data of the FHIR resources are written to OMOP CDM as new records with new OMOP ids.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. Excerpt of the data flow of the Condition Processor. CDM: Common Data Model; FHIR: Fast Healthcare Interoperability Resources; OMOP: Observational Medical Outcomes Partnership.\n\n\n\nEvaluation of the incremental load process \nFor the evaluation of the incremental load process, we defined and executed two ETL test designs. First, we tested which approach to store the mapping between id and identifier used in FHIR with the id used in OMOP CDM was the most performant. For this purpose, we implemented a separate ETL process version for each approach. Afterward, we executed the ETL process as bulk load first and as incremental load afterward, and compared the execution times between the mapping table approach and the column approach. For further evaluation of the incremental load process, we have chosen the most performant approach, resulting in a new optimized ETL process version for the second ETL test design.\nTo test the achievement of the three requirements identified during the initial analysis of our ETL process, we defined and executed a second ETL test design (Table 2) that compares the results of bulk loading with those of incremental loading regarding performance and data correctness. Our hypotheses here are that the execution time of incremental loading alone is less than bulk loading, including daily updates, and that the amount of data per table in OMOP CDM is identical after incremental loading and bulk loading, including daily updates.\n\n\n\n\n\n\n\nTable 2. Extract-transform-load test design regarding performance and data correctness.\n\n\nTest focus\n\nHypothesis\n\n\nPerformance\n\nt(bulk loading (3 mon)) + t(incremental loading (1 d)) < t(bulk loading (3 mon)) + t(bulk loading (3 mon + 1 d))\n\n\nData correctness\n\n#((bulk loading (3 mon)) + (incremental loading (1 d))) = #(bulk loading (3 mon + 1 d))\n\n\n\nFor both ETL test designs, we used a total of 3,802,121 synthetic FHIR resources version R4 based on the MI-I CDS version 1.0, which were generated using random values. Furthermore, we simulated CUD-FHIR resources for testing incremental loading for one day. For the simulation, we checked the frequency distribution of CUD data per domain in our source system with real-world data for eight days and calculated the average value (see Multimedia Appendix 4). In addition, we set up one OMOP CDM v5.3.1 database as the target and executed the ETL process according to our test designs. For both ETL tests, we tracked the execution times based on the time stamps in the logging file of the ETL process until the corresponding job finished successfully. In a second step, we recorded the data quantity for each filled table in OMOP CDM and compared the results between the two ETL loading options for the second ETL test.\n\nResults \nArchitecture of the ETL process \nThe implemented ETL process extension for incremental loading of FHIR resources to OMOP CDM has not changed the basic architecture of the ETL process, as proposed by Peng et al.[2], consisting of Reader, Processor, and Writer (Figure 2). The only addition is a switch at the beginning of the ETL process, which allows the user to select between bulk load and incremental load (requirement A). Moreover, we configured the Reader for incremental loading of CUD-FHIR resources on a daily basis (requirement B). In the Processor, we added the logic of the verification of CUD-FHIR resources and their deletion from OMOP CDM if they already exist (requirement C).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 2. Architecture of the FHIR-to-OMOP extract-transform-load process including incremental load. CDM: Common Data Model; FHIR: Fast Healthcare Interoperability Resources; OMOP: Observational Medical Outcomes Partnership.\n\n\n\nThe ETL process covering bulk and incremental load is available in the OHDSI repository ETL-German-FHIR-Core.[25]\n\nFindings of the first ETL test \nThe first ETL test focused on the performance measurement of the mapping table approach versus the column approach. First, we executed both ETL approaches as a bulk load. The column approach took about 30 minutes to transform FHIR resources to OMOP CDM. In contrast, the mapping table approach was still not finished after four hours. Therefore, we stopped the ETL execution and did not test the incremental loading anymore. Consequently, for the incremental ETL design, we decided to use the column approach due to its better performance and executed the subsequent performance evaluations with it.\n\nFindings of the second ETL test \nThe second ETL test dealt with testing our two hypotheses in Table 2. First, we compared the execution times between a bulk load (three months plus one day) and an initial bulk load (three months) followed by an incremental load (one day). For this, each loading option was executed three times. Based on the results, we calculated the average execution times. The performance results (Multimedia Appendix 5) show that an initial bulk load (13.31 minutes) followed by a daily incremental load (2.12 minutes) is more efficient than an everyday full load (17.07 minutes). Looking at the percentage improvement in performance, it can be shown that incremental loading had 87.5% less execution time than a daily full load (2.12 minutes compared to 17.07 minutes). Referring to our first hypothesis, we were able to prove our initial assumption.\nAfter the execution of both loading options, we further checked the data quantity for each filled table in OMOP CDM and compared the results of it. As shown in Table 3, both loading options resulted in the same amount of data (Multimedia Appendix 5). Consequently, we were also able to confirm our second hypothesis regarding data correctness in OMOP CDM.\n\n\n\n\n\n\n\nTable 3. Results of the data quantity comparison in the Observational Medical Outcomes Partnership Common Data Model (OMOP CDM) between bulk and incremental load.\n\n\nData field\n\nBulk load (three months + one day; n)\n\nBulk load (three months) + incremental load (one day) (n)\n\n\nCare_site\n\n152\n\n152\n\n\nCondition_occurrence\n\n800,640\n\n800,640\n\n\nDeath\n\n857\n\n857\n\n\nDrug_exposure\n\n1,171,521\n\n1,171,521\n\n\nFact_relationship\n\n2,323,894\n\n2,323,894\n\n\nMeasurement\n\n231,369\n\n231,369\n\n\nObservation\n\n511,844\n\n511,844\n\n\nObservation_period\n\n15,037\n\n15,037\n\n\nPerson\n\n15,037\n\n15,037\n\n\nProcedure_occurrence\n\n168,384\n\n168,384\n\n\nSource_to_concept_map\n\n251\n\n251\n\n\nVisit_detail\n\n43,929\n\n43,929\n\n\nVisit_occurrence\n\n29,898\n\n29,898\n\n\n\nDiscussion \nPrincipal findings \nBased on the partial results for research questions one and two, we defined three methods to integrate incremental loading into our ETL process design. In this context, the three identified requirements from the initial analysis could be implemented by taking existing approaches from the literature into account (research question three). Moreover, the incremental load process was tested at 10 university hospitals in Germany and ensures daily data transfer to OMOP CDM for the CTRSS. This proves that the ETL process is also suitable for real-world data, although it was developed with synthetic data.\nCurrently, our ETL process requires FHIR resources following the MI-I core data set specification. However, our initial requirements analysis showed that the implemented incremental ETL logic does not affect the semantic mapping from FHIR to OMOP CDM described by Peng et al.[2] In consequence, the incremental ETL logic is independent of the data available in the FHIR format. Therefore, it can be used to incrementally transform international FHIR profiles such as the US Core Profiles[26] to OMOP CDM.\n\nLimitations \nNevertheless, the ETL process has limitations in its execution capabilities. As our FHIR resources comprise a logical id corresponding to the id in our source system, our ETL process is currently not able to deal with changing server end points, resulting in changing logical ids. Additionally, so far, we have not included an option to automatically start incremental loading nor do we support real-time streaming (e.g., via Apache Kafka[27]). These limitations are part of future work.\nTo evaluate incremental loading compared to bulk loading, we performed two ETL tests (research question four). The results of the performance tests showed that the column approach is more performant than the mapping table approach. Our suspected explanation for this is that the mapping table approach requires additional tables to be filled besides the standardized tables in OMOP CDM. Consequently, during the verification of FHIR resources in OMOP CDM, a lookup and deletion in several tables (mapping tables and standardized tables) is necessary, whereas the column approach only accesses the standardized tables.\nReferring to our two hypotheses regarding performance and data correctness between incremental loading and bulk loading, we showed that our initial assumptions were proven. With the option of an incremental ETL process, we were able to reduce execution times to provide data in OMOP CDM on a daily basis, without data loss compared to the bulk load ETL process. For our future work, we want to further evaluate at what point bulk load is more worthwhile than incremental loading. The results of these evaluations will be incorporated into the automation concept.\nDuring the productive use of the ETL process, we identified two issues that have to be considered in the context of incremental loading to OMOP CDM. First, OHDSI provides a wide range of open-source tools (e.g., ATLAS[28]) for cohort definitions or statistical analyses. To make ATLAS work on the data in OMOP CDM, a summary report has to be generated in advance using ACHILLES[29] (Automated Characterization of Health Information at Large-Scale Longitudinal Evidence Systems), an R package that provides characterization and visualization. Regarding the incremental ETL process, ACHILLES has to be run after each successful execution of the incremental ETL process.\nA second issue that needs to be addressed relates to the ids in the standardized tables in OMOP CDM. The incremental loading process requires the assignment of new ids in the OMOP CDM. While this was not a problem during development, it becomes obvious when a large amount of data is processed. In this context, the maximum id in the tables of OMOP CDM was reached, which led to a failure of the ETL process. We need to pay special attention to this point and find a solution (e.g., by reusing deleted ids or by changing the ETL process in a real updating ETL process). As this problem does not occur during the bulk load process, a current workaround is to start that process if the incremental load fails, which is possible as our process comprises bulk and incremental load options.\n\nConclusions \nThe presented ETL process from FHIR to OMOP CDM now enables both bulk and incremental loading. To receive daily updated recruitment proposals with the CTRSS, the ETL process no longer needs to be executed as a bulk load every day. One initial load supplemented by incremental loads per day meets the requirements of the CTRSS while being more performant. Moreover, since the incremental ETL logic is not restricted to the MI-I CDS specification, it can also be used for international studies that require daily updated data from FHIR resources in OMOP CDM. To be able to use not only the logic of incremental loading internationally, but the whole ETL process itself, the support of arbitrary FHIR profiles is needed. This requires a modularization and generalization of current ETL processes. For that, we will evaluate the extension to metadata-driven ETL in the near future.\n\n Abbreviations, acronyms, and initialisms \nACHILLES: Automated Characterization of Health Information at Large-Scale Longitudinal Evidence Systems\nCDC: change data capture\nCDM: Common Data Model\nCDS: Core Data Set\nCTRSS: clinical trial recruitment support system\nCUD: created, updated, or deleted\nETL: extract-transform-load\nFHIR: Fast Healthcare Interoperability Resources\nHL7: Health Level Seven\nMI-I: Medical Informatics Initiative Germany\nMIRACUM: Medical Informatics in Research and Care in University Medicine\nOHDSI: Observational Health Data Sciences and Informatics\nOMOP: Observational Medical Outcomes Partnership\nSupplementary information \nMultimedia Appendix 1: Results and screenings of the literature review on July 14, 2021 (.xlsx)\nMultimedia Appendix 2: Results and screenings of the literature review on November 28, 2022 (.xlsx)\nMultimedia Appendix 3: Results and screenings of the literature review on February 22, 2023 (.xlsx)\nMultimedia Appendix 4: Frequency distribution of created, updated, and deleted data (.xlsx)\nMultimedia Appendix 5: Results of the second extract-transform-load test.\nAcknowledgements \nThe research reported in this work was accomplished as part of the German Federal Ministry of Education and Research within the Medical Informatics Initiative, Medical Informatics in Research and Care in University Medicine (MIRACUM) consortium (FKZ: 01lZZ180L; Dresden). The article processing charge was funded by the joint publication funds of the Technische Universit\u00e4t, Dresden, including the Carl Gustav Carus Faculty of Medicine, and the S\u00e4chsische Landesbibliothek \u2013 Staats- und Universit\u00e4tsbibliothek, Dresden, as well as the Open Access Publication Funding of the Deutsche Forschungsgemeinschaft.\n\nAuthor contributions \nAll authors contributed substantially to this work. EH and MZ conducted the literature review. EH and YP contributed to the extract-transform-load (ETL) process design and implementation. EH, YP, IR, and FB reviewed the ETL process design and implementation. YP contributed to the ETL process execution and evaluation. EH prepared the original draft. EH, YP, IR, FB, MZ, and MS reviewed and edited the manuscript. MS contributed toward the resources. All authors have read and agreed to the current version of the manuscript and take responsibility for the scientific integrity of the work.\n\nConflicts of interest \nNone declared.\n\nReferences \n\n\n\u2191 Hariton, Eduardo; Locascio, Joseph J (1 December 2018). \"Randomised controlled trials \u2013 the gold standard for effectiveness research: Study design: randomised controlled trials\" (in en). BJOG: An International Journal of Obstetrics & Gynaecology 125 (13): 1716\u20131716. doi:10.1111\/1471-0528.15199. ISSN 1470-0328. PMC PMC6235704. PMID 29916205. https:\/\/obgyn.onlinelibrary.wiley.com\/doi\/10.1111\/1471-0528.15199 .   \n \n\n\u2191 2.0 2.1 2.2 2.3 2.4 2.5 2.6 Peng, Yuan; Henke, Elisa; Reinecke, Ines; Zoch, Mich\u00e9le; Sedlmayr, Martin; Bathelt, Franziska (1 January 2023). \"An ETL-process design for data harmonization to participate in international research with German real-world data based on FHIR and OMOP CDM\" (in en). 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(1 July 2018). \"MIRACUM: Medical Informatics in Research and Care in University Medicine: A Large Data Sharing Network to Enhance Translational Research and Medical Care\" (in en). Methods of Information in Medicine 57 (S 01): e82\u2013e91. doi:10.3414\/ME17-02-0025. ISSN 0026-1270. PMC PMC6178200. PMID 30016814. http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME17-02-0025 .   \n \n\n\u2191 Reinecke, Ines; Gulden, Christian; K&#252; Mmel, Mich&#233; le; Nassirian, Azadeh; Blasini, Romina; Sedlmayr, Martin (2020). \"Design for a Modular Clinical Trial Recruitment Support System Based on FHIR and OMOP\". Digital Personalized Health and Medicine: 158\u2013162. doi:10.3233\/SHTI200142. https:\/\/ebooks.iospress.nl\/doi\/10.3233\/SHTI200142 .   \n \n\n\u2191 16.0 16.1 16.2 16.3 16.4 Lynch, Kristine E.; Deppen, Stephen A.; DuVall, Scott L.; Viernes, Benjamin; Cao, Aize; Park, Daniel; Hanchrow, Elizabeth; Hewa, Kushan et al. (1 October 2019). \"Incrementally Transforming Electronic Medical Records into the Observational Medical Outcomes Partnership Common Data Model: A Multidimensional Quality Assurance Approach\" (in en). Applied Clinical Informatics 10 (05): 794\u2013803. doi:10.1055\/s-0039-1697598. ISSN 1869-0327. PMC PMC6811349. PMID 31645076. http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0039-1697598 .   \n \n\n\u2191 Kahn, Michael G.; Callahan, Tiffany J.; Barnard, Juliana; Bauck, Alan E.; Brown, Jeff; Davidson, Bruce N.; Estiri, Hossein; Goerg, Carsten et al. (11 September 2016). \"A Harmonized Data Quality Assessment Terminology and Framework for the Secondary Use of Electronic Health Record Data\". eGEMs (Generating Evidence & Methods to improve patient outcomes) 4 (1): 18. doi:10.13063\/2327-9214.1244. ISSN 2327-9214. PMC PMC5051581. 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ISSN 0926-8782. http:\/\/link.springer.com\/10.1007\/s10619-018-7248-y .   \n \n\n\u2191 20.0 20.1 Wen, Wei Jun (1 October 2014). \"Research on the Incremental Updating Mechanism of Marine Environmental Data Warehouse\". Applied Mechanics and Materials 668-669: 1378\u20131381. doi:10.4028\/www.scientific.net\/AMM.668-669.1378. ISSN 1662-7482. https:\/\/www.scientific.net\/AMM.668-669.1378 .   \n \n\n\u2191 21.0 21.1 Smys, S.; Senjyu, Tomonobu; Lafata, Pavel, eds. (2020) (in en). Second International Conference on Computer Networks and Communication Technologies: ICCNCT 2019. Lecture Notes on Data Engineering and Communications Technologies. 44. Cham: Springer International Publishing. doi:10.1007\/978-3-030-37051-0. ISBN 978-3-030-37050-3. http:\/\/link.springer.com\/10.1007\/978-3-030-37051-0 .   \n \n\n\u2191 22.0 22.1 Sun, Yue-yue (1 May 2022). \"Research and implementation of an efficient incremental synchronization method based on Timestamp\". 2022 3rd International Conference on Computing, Networks and Internet of Things (CNIOT) (Qingdao, China: IEEE): 158\u2013162. doi:10.1109\/CNIOT55862.2022.00035. ISBN 978-1-6654-6910-4. https:\/\/ieeexplore.ieee.org\/document\/9814725\/ .   \n \n\n\u2191 23.0 23.1 Hu, Yong; Dessloch, Stefan (1 September 2014). \"Extracting deltas from column oriented NoSQL databases for different incremental applications and diverse data targets\" (in en). Data & Knowledge Engineering 93: 42\u201359. doi:10.1016\/j.datak.2014.07.002. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0169023X14000615 .   \n \n\n\u2191 24.0 24.1 Wei Du; Zou, Xianxia (1 August 2015). \"Differential snapshot algorithms based on Hadoop MapReduce\". 2015 12th International Conference on Fuzzy Systems and Knowledge Discovery (FSKD) (Zhangjiajie, China: IEEE): 1203\u20131208. doi:10.1109\/FSKD.2015.7382113. ISBN 978-1-4673-7682-2. http:\/\/ieeexplore.ieee.org\/document\/7382113\/ .   \n \n\n\u2191 OHDSI (2023). \"OHDSI \/ ETL-German-FHIR-Core\". GitHub. https:\/\/github.com\/OHDSI\/ETL-German-FHIR-Core . Retrieved 15 March 2023 .   \n \n\n\u2191 \"US Core Implementation Guide\". HL7 FHIR. Health Level 7 International. 2023. https:\/\/www.hl7.org\/fhir\/us\/core\/ . Retrieved 15 March 2023 .   \n \n\n\u2191 \"Apache Kafka\". Apache Software Foundation. 2023. https:\/\/kafka.apache.org\/ . Retrieved 15 March 2023 .   \n \n\n\u2191 OHDSI (2023). \"OHDSI \/ Atlas\". GitHub. https:\/\/github.com\/OHDSI\/Atlas . Retrieved 15 March 2023 .   \n \n\n\u2191 OHDSI (2023). \"OHDSI \/ Achilles\". GitHub. https:\/\/github.com\/OHDSI\/Achilles . Retrieved 15 March 2023 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation, though grammar and word usage was substantially updated for improved readability. In some cases important information was missing from the references, and that information was added.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\">https:\/\/www.limswiki.org\/index.php\/Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on clinical researchLIMSwiki journal articles on data analysisLIMSwiki journal articles on health informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 4 December 2023, at 23:47.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 722 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","364760e880a056f2ab5d0e7bb21b9f58_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM_Algorithm_development_and_validation rootpage-Journal_An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM_Algorithm_development_and_validation skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:An extract-transform-load process design for the incremental loading of German real-world data based on FHIR and OMOP CDM: Algorithm development and validation<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><b>Background<\/b>: In the Medical Informatics in Research and Care in University Medicine (MIRACUM) consortium, an IT-based <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_trial_management_system\" title=\"Clinical trial management system\" class=\"wiki-link\" data-key=\"69c3d457afb8e96412b08403b7bfcccb\">clinical trial recruitment support system<\/a> was developed based on the Observational Medical Outcomes Partnership (OMOP) Common Data Model (CDM). Currently, OMOP CDM is populated with German <a href=\"https:\/\/www.limswiki.org\/index.php\/Fast_Healthcare_Interoperability_Resources\" title=\"Fast Healthcare Interoperability Resources\" class=\"wiki-link\" data-key=\"65dd2a848285f9151006e17e036d596d\">Fast Healthcare Interoperability Resources<\/a> (FHIR) data using an <a href=\"https:\/\/www.limswiki.org\/index.php\/Extract,_transform,_load\" title=\"Extract, transform, load\" class=\"wiki-link\" data-key=\"1261529d9cb06775abdb3788c1cdb522\">extract-transform-load<\/a> (ETL) process, which was designed as a bulk load. However, the computational effort that comes with an everyday full load is not efficient for daily recruitment.\n<\/p><p><b>Objective<\/b>: The aim of this study is to extend our existing ETL process with the option of incremental loading to efficiently support daily updated data.\n<\/p><p><b>Methods<\/b>: Based on our existing bulk ETL process, we performed an analysis to determine the requirements of incremental loading. Furthermore, a literature review was conducted to identify adaptable approaches. Based on this, we implemented three methods to integrate incremental loading into our ETL process. Lastly, a test suite was defined to evaluate the incremental loading for data correctness and performance compared to bulk loading.\n<\/p><p><b>Results<\/b>: The resulting ETL process supports bulk and incremental loading. Performance tests show that the incremental load took 87.5% less execution time than the bulk load (2.12 minutes compared to 17.07 minutes) related to changes of one day, while no data differences occurred in OMOP CDM.\n<\/p><p><b>Conclusions<\/b>: Since incremental loading is more efficient than a daily bulk load, and both loading options result in the same amount of data, we recommend using bulk load for an initial load and switching to incremental load for daily updates. The resulting incremental ETL logic can be applied internationally since it is not restricted to German FHIR profiles.\n<\/p><p><b>Keywords<\/b>: extract-transform-load, ETL, incremental loading, OMOP CDM, FHIR, interoperability, Observational Medical Outcomes Partnership Common Data Model; Fast Healthcare Interoperability Resources \n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Background_and_significance\">Background and significance<\/span><\/h3>\n<p>Randomized controlled clinical trials are the gold standard to \u201cmeasure the effectiveness of a new intervention or treatment.\u201d<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> However, randomized controlled clinical trials are limited regarding the representative number of persons included and, therefore, are restricted in their external generalizability. To gain more unbiased evidence, observational studies focus on real-world data from large heterogeneous populations.\n<\/p><p>To support observational research, we at the Institute for Medical Informatics and Biometry at Technische Universit\u00e4t Dresden already provide a transferable <a href=\"https:\/\/www.limswiki.org\/index.php\/Extract,_transform,_load\" title=\"Extract, transform, load\" class=\"wiki-link\" data-key=\"1261529d9cb06775abdb3788c1cdb522\">extract-transform-load<\/a> (ETL) process<sup id=\"rdp-ebb-cite_ref-:0_2-0\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup> to transform German real-world data to the Observational Medical Outcomes Partnership (OMOP) Common Data Model (CDM)<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup> provided by Observational Health Data Sciences and Informatics (OHDSI).<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup> This transformation effort supports the possibilities for multicentric and even international studies. Due to the heterogeneity of the structure and content of the data from the data integration centers within the Medical Informatics Initiative Germany (MI-I)<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup>, the <a href=\"https:\/\/www.limswiki.org\/index.php\/Health_Level_7\" title=\"Health Level 7\" class=\"wiki-link\" data-key=\"e0bf845fb58d2bae05a846b47629e86f\">Health Level 7<\/a> (HL7)<sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup> <a href=\"https:\/\/www.limswiki.org\/index.php\/Fast_Healthcare_Interoperability_Resources\" title=\"Fast Healthcare Interoperability Resources\" class=\"wiki-link\" data-key=\"65dd2a848285f9151006e17e036d596d\">Fast Healthcare Interoperability Resources<\/a> (FHIR) communication standard was specified among all German university <a href=\"https:\/\/www.limswiki.org\/index.php\/Hospital\" title=\"Hospital\" class=\"wiki-link\" data-key=\"b8f070c66d8123fe91063594befebdff\">hospitals<\/a>. Consequently, we used FHIR as the source for our ETL process. The FHIR specification is given by the core data set of the MI-I.<sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> FHIR resources can be read from an FHIR Gateway<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup> (<a href=\"https:\/\/www.limswiki.org\/index.php\/PostgreSQL\" title=\"PostgreSQL\" class=\"wiki-link\" data-key=\"a5dd945cdcb63e2d8f7a5edb3a896d82\">PostgreSQL<\/a> database) or FHIR Server (e.g., HAPI<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup> or Blaze<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup>). As the target of our ETL process, we used OMOP CDM v5.3.1.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> The implementation of the ETL process was done using the open-source framework Java SpringBatch.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup> Our ETL process has been implemented in accordance with the default assumption as described in <i>The Book of OHDSI<\/i><sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup>, where the OHDSI community defines the ETL process as a full load to transfer data from source to target systems. \n<\/p><p>This approach is efficient for a dedicated study where data gets loaded once without any update afterward; however, it is inefficient when it comes to the need for updated data on a daily basis. The latter is the case for the developments around the improvement and support of the recruitment process for clinical trials, which the Medical Informatics in Research and Care in University Medicine (MIRACUM)<sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup> consortium, as part of the MI-I funded by the German Federal Ministry of Education and Research, is working on. In this context, an IT-based <a href=\"https:\/\/www.limswiki.org\/index.php\/Clinical_trial_management_system\" title=\"Clinical trial management system\" class=\"wiki-link\" data-key=\"69c3d457afb8e96412b08403b7bfcccb\">clinical trial recruitment support system<\/a> (CTRSS) based on OMOP CDM was implemented.<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup> The CTRSS consists of a screening list for recruitment teams that provides potential candidates for clinical trials updated on a daily base. To enable the CTRSS to provide recruitment proposals, it is necessary to transform the data in FHIR format at each site from the 10 MIRACUM data integration centers into the standardized format of OMOP CDM. The procession of FHIR resources to OMOP CDM through our ETL process has already been successfully tested and integrated at all 10 German university hospitals of the MIRACUM consortium.\n<\/p><p>So far, our ETL process is restricted to a bulk load of FHIR resources to OMOP CDM. This implied that all FHIR resources are read from the source. To enable the CTRSS to provide daily recruitment proposals, our ETL process has to be executed every day as a full load. However, an everyday full load is not efficient because often only a small amount of source data has changed during loading periods, which results in unnecessary long execution times considering a full load for daily executions. Consequently, the computational effort that comes with the daily execution of the bulk load is not efficient in the context of the CTRSS.\n<\/p><p>Thus, a new approach is needed to only process FHIR resources that were created, updated, or deleted (CUD) since the last execution of the ETL process once an initial load has been executed. This loading option is known as \"incremental loading.\"\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Objective\">Objective<\/span><\/h3>\n<p>To keep the bulk load option for dedicated studies and still be performant toward daily changes in the source data, a combination of bulk load and incremental load is needed. To reduce the additional effort in implementing a second independent ETL process for incremental loading, it is our aim to extend our existing ETL process with the option of incremental loading. During our research, we focused on the following four research questions:\n<\/p>\n<ol><li>What requirements need to be considered when integrating incremental loading into our existing ETL process design?<\/li>\n<li>What approaches already exist for incremental ETL processes?<\/li>\n<li>How can the identified requirements from research question one be implemented in our existing ETL process design?<\/li>\n<li>Does incremental loading provide an advantage over daily bulk loading?<\/li><\/ol>\n<h2><span class=\"mw-headline\" id=\"Methods\">Methods<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Analysis_of_the_Existing_ETL_FHIR-to-OMOP_process\">Analysis of the Existing ETL FHIR-to-OMOP process<\/span><\/h3>\n<p>To determine the requirements for integrating incremental loading into our existing ETL process design, we performed an impact analysis focusing on the whole ETL process, as well as, in more detail, the three main components of it, namely, Reader, Processor, and Writer, as presented by Peng <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_2-1\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup> Regarding the whole ETL process, the following three requirements were needed:\n<\/p>\n<ul><li>Requirement A: It is necessary to provide the user with the ability to distinguish between bulk loading and incremental loading.<\/li>\n<li>Requirement B: For incremental loading, it is further essential that the Reader of the ETL process is able to detect changes in the source system and reads only CUD-FHIR resources on a daily basis.<\/li>\n<li>Requirement C: During the processing of updated and deleted FHIR resources, duplicates and obsolete data should be avoided in OMOP CDM to guarantee data correctness.<\/li><\/ul>\n<p>Considering the semantic mapping from FHIR MI-I Core Data Set (CDS) to OMOP CDM and the Writer of the ETL process, as described by Peng <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_2-2\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup>, incremental loading has no impact on both. In summary, incremental loading requires an adjustment of the implementation of the Reader and Processor.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Literature_review\">Literature review<\/span><\/h3>\n<p>To identify approaches that might be adaptable to our existing ETL design and fulfill the three requirements in the previous section, we conducted a first literature review on July 14, 2021; a second one on November 28, 2022; and a third one on February 22, 2023 (Multimedia Appendices 1, 2, and 3). Table 1 includes the search strings and the number of results for three literature databases.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Literature review: database, search string, and number of results.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Database\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Search string\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Results (<i>n<\/i>)\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">PubMed\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">All fields: (incremental) AND ((etl) OR (extract transform load))\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">IEEE Xplore\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">((\u201cAll Metadata\u201d: incremental) AND (\u201cAll Metadata\u201d: etl OR \u201cAll Metadata\u201d: extract transform load))\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Web of Science\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">ALL=(incremental) AND (ALL=(etl) OR ALL=(extract transform load))\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">46\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>We included only articles from 2011 to 2022 in English. After removing duplicates, 51 items were left. These were screened independently by two authors (EH and MZ). Through the title and abstract screening, we identified 12 relevant articles. After the screening of the full texts, we included eight articles within our research. Reasons for excluding the other articles were other meanings of the abbreviation \u201cETL,\u201d ETL tools without regard to theoretical approaches of incremental loads, focus on application instead of ETL process and theoretical approach, and quality and error handling without focus on a theoretical approach.\n<\/p><p>Only two of the eight articles addressed ETL processes for loading patient data into OMOP CDM. Lynch <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:1_16-0\" class=\"reference\"><a href=\"#cite_note-:1-16\">[16]<\/a><\/sup> introduced an approach for incremental transformation from the data warehouse to OMOP CDM to prevent incremental load errors. They suggest basing the development on a <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a> (QA) process dependent on the <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_quality\" title=\"Data quality\" class=\"wiki-link\" data-key=\"7fe43b05eae4dfa9b5c0547cc8cfcceb\">data quality<\/a> framework by Kahn <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> Furthermore, they generated ETL batch tracking ids for each record of data during the transformation to OMOP CDM. For 1:1 mappings, they created custom columns in the standardized OMOP CDM tables, and for 1:<i>n<\/i> or <i>n<\/i>:1 mappings, they used a parallel mapping table to store the ETL batch id and a link to the corresponding record in OMOP CDM. Secondly, Lenert <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_18-0\" class=\"reference\"><a href=\"#cite_note-:2-18\">[18]<\/a><\/sup> describe an automated transformation of clinical data into two CDMs (OMOP and PCORnet database) by using FHIR. Therefore, they use the so-called subscriptions of FHIR resources. These subscriptions trigger a function to create a copy of the FHIR resource and its transmission into another system whenever a FHIR resource is created or updated.\n<\/p><p>Despite OMOP CDM being the target database, the literature search revealed different concepts for incremental ETL itself. Kathiravelu <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup> described the caching of new or updated data in a temporary table. Of the eight articles, seven described various methods for incremental updates, particularly focusing on change data capture (CDC). All describe different categories of CDC, like timestamp-based, audit column\u2013based, trigger-based, log-based, <a href=\"https:\/\/www.limswiki.org\/index.php\/Application_programming_interface\" title=\"Application programming interface\" class=\"wiki-link\" data-key=\"36fc319869eba4613cb0854b421b0934\">application programming interface<\/a>\u2013based, and data-based snapshots<sup id=\"rdp-ebb-cite_ref-:1_16-1\" class=\"reference\"><a href=\"#cite_note-:1-16\">[16]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_18-1\" class=\"reference\"><a href=\"#cite_note-:2-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_20-0\" class=\"reference\"><a href=\"#cite_note-:3-20\">[20]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:4_21-0\" class=\"reference\"><a href=\"#cite_note-:4-21\">[21]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_22-0\" class=\"reference\"><a href=\"#cite_note-:5-22\">[22]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:6_23-0\" class=\"reference\"><a href=\"#cite_note-:6-23\">[23]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:7_24-0\" class=\"reference\"><a href=\"#cite_note-:7-24\">[24]<\/a><\/sup>: (1) Lynch <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:1_16-2\" class=\"reference\"><a href=\"#cite_note-:1-16\">[16]<\/a><\/sup> and (2) Lenert <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:2_18-2\" class=\"reference\"><a href=\"#cite_note-:2-18\">[18]<\/a><\/sup> focused on triggers; (3) Wen<sup id=\"rdp-ebb-cite_ref-:3_20-1\" class=\"reference\"><a href=\"#cite_note-:3-20\">[20]<\/a><\/sup> focused on timestamps and triggers; (4) Thulasiram and Ramaiah<sup id=\"rdp-ebb-cite_ref-:4_21-1\" class=\"reference\"><a href=\"#cite_note-:4-21\">[21]<\/a><\/sup> and (5) Sun<sup id=\"rdp-ebb-cite_ref-:5_22-1\" class=\"reference\"><a href=\"#cite_note-:5-22\">[22]<\/a><\/sup> focused on timestamps; (6) Hu and Dessloch<sup id=\"rdp-ebb-cite_ref-:6_23-1\" class=\"reference\"><a href=\"#cite_note-:6-23\">[23]<\/a><\/sup> focused on timestamps, audit columns, logs, triggers, and snapshots; and (7) Wei Du and Zou<sup id=\"rdp-ebb-cite_ref-:7_24-1\" class=\"reference\"><a href=\"#cite_note-:7-24\">[24]<\/a><\/sup> focused on snapshots and MapReduce.\n<\/p><p>In summary, the literature review revealed adaptable approaches, which can be applied for the implementation of requirements B and C. However, no approaches could be found in the literature for requirement A. For this reason, we have to define a new method to enable both bulk and incremental loading in one ETL process. The concrete integration of the approaches into our existing ETL design is described in more detail in the following sections.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Incremental_ETL_process_design\">Incremental ETL process design<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Enabling_both_bulk_and_incremental_loading\">Enabling both bulk and incremental loading<\/span><\/h4>\n<p>For the specification, if the ETL process should be executed as bulk or incremental load, we added a new Boolean parameter in the configuration file of the ETL process called <tt>APP_BULKLOAD_ENABLED<\/tt>. According to the desired loading option, the parameter has to be adjusted before executing the ETL process, with \u201ctrue\u201d results in a bulk load and \u201cfalse\u201d results in an incremental load. During the execution of the ETL process, this parameter is further taken into account for the Reader and Processor of the ETL process<sup id=\"rdp-ebb-cite_ref-:0_2-3\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup> to distinguish between the needs of bulk and incremental load (e.g., to ensure that the OMOP CDM database is not emptied at the beginning of the ETL process execution during an incremental load).\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Focusing_on_CUD-FHIR_resources_since_the_last_ETL_execution\">Focusing on CUD-FHIR resources since the last ETL execution<\/span><\/h4>\n<p>Our purpose of incremental loading was to focus only on CUD-FHIR resources since the last time the ETL process was executed (whether as bulk or incremental load). Consequently, the ETL process for incremental load has to filter only CUD-FHIR resources from the source. The literature research showed that there are various CDC approaches to detect changes in the source. In our case, FHIR resources in the FHIR Gateway and FHIR Server contain <a href=\"https:\/\/www.limswiki.org\/index.php\/Metadata\" title=\"Metadata\" class=\"wiki-link\" data-key=\"f872d4d6272811392bafe802f3edf2d8\">metadata<\/a>, such as a timestamp indicating when an FHIR resource was created, updated, or deleted in the source (FHIR Gateway: <tt>column last_updated_at<\/tt>; FHIR Server: <tt>meta.lastUpdated<\/tt>). That is why we used the timestamp-based CDC approach to filter FHIR resources, which have a timestamp specification after the last ETL execution time.\n<\/p><p>To ensure filtering for the incremental load, we added two new parameters in the configuration file of the ETL process: <tt>DATA_BEGINDATE<\/tt> and <tt>DATA_ENDDATE<\/tt>. Both parameters have to be adjusted before executing the ETL process as incremental load. During the execution, the ETL process takes these two parameters into account and only reads FHIR resources from the source that has a metadata timestamp specification that is in [<tt>DATA_BEGINDATE<\/tt>, <tt>DATA_ENDDATE<\/tt>].\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Guarantee_data_correctness_in_OMOP_CDM\">Guarantee data correctness in OMOP CDM<\/span><\/h4>\n<p>To avoid duplicates in OMOP CDM when processing updated and deleted FHIR resources, their existence in OMOP CDM has to be checked during processing. The FHIR resources themselves do not have a flag that indicates whether they are new or have been changed. Only deleted FHIR resources can be identified by a specific flag in the metadata. To assess the existence of FHIR resources in OMOP CDM, a comparison of the data of the read FHIR resources with the data already available in OMOP CDM has to be done.\n<\/p><p>The literature research showed an approach to generate a unique tracking id per source data during the transformation process and its storage in OMOP CDM.<sup id=\"rdp-ebb-cite_ref-:1_16-3\" class=\"reference\"><a href=\"#cite_note-:1-16\">[16]<\/a><\/sup> We decided against the approach of generating an additional id because FHIR resources already contain two identifying FHIR elements themselves: id and identifier. The id represents the logical id of the resource per resource type, while the identifier specifies an identifier that is part of the source data. Both FHIR elements allow the unique identification of an FHIR resource per resource type. However, the standardized OMOP CDM tables do not provide the possibility to store this information from FHIR. Furthermore, OMOP CDM has its own primary keys for each record in a table independent of the id and identifier used in FHIR. Consequently, after transforming FHIR resources to OMOP CDM, the identifying data from FHIR resources will be lost.\n<\/p><p>To solve this problem, we need to store the mapping between the id and identifier used in FHIR with the id used in OMOP CDM. Due to the fact that the id of an FHIR resource is only unique per resource type and one FHIR resource can be stored in OMOP CDM in multiple tables, we additionally have to specify the resource type. As mentioned above, Lynch <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:1_16-4\" class=\"reference\"><a href=\"#cite_note-:1-16\">[16]<\/a><\/sup> presented an approach to store the mapping between tracking ids for source records and ids used in OMOP CDM by using a mapping table and custom columns in OMOP CDM. We have slightly customized this approach and adapted it into our ETL design. Contrary to the use of both mapping tables and custom columns, we considered each approach separately.\n<\/p><p>Our first approach uses mapping tables for each FHIR resource type in a separate schema in OMOP CDM. With this approach, the Writer of the ETL process has to fill additional mapping tables beside the standardized tables in OMOP CDM. Our second approach focuses on two new columns in the standardized tables in OMOP CDM called \u201cfhir_logical_id\u201d and \u201cfhir_identifier.\u201d These columns store the id and identifier of the FHIR resource. Furthermore, we appended an abbreviation of the resource type as a prefix to the id and identifier of FHIR (eg, \u201cmed-\u201d for Medication, \u201cmea-\u201d for MedicationAdministration, or \u201cmes-\u201d for MedicationStatement FHIR resources). In consequence, the combination of the prefix with the id and identifier and its storage in OMOP CDM enables the unique identification of FHIR resources in OMOP CDM. Since the mapping tables and two new columns are required exclusively for the ETL process, the analysis of data across multiple OMOP CDM databases is not affected.\n<\/p><p>Based on the unique identification of FHIR resources in OMOP CDM, it is now possible to guarantee data correctness in OMOP CDM during incremental loading. Figure 1 shows the exemplary data flow for Condition FHIR resources for the second approach with two new columns. First, the Processor extracts the id and identifier used in FHIR. After that, the prefix is added to both values. Regardless of whether the data was created, updated, or deleted in the source, the ETL process next verifies each processed FHIR resource\u2019s existence in OMOP CDM using the mapping tables or two new columns. During the verification, records are deleted in OMOP CDM if they were found. This approach is also used for updated FHIR resources to avoid incomplete updates for cross-domain mappings in OMOP CDM. Consequently, we do not perform updates on the existing records in OMOP CDM except Patient and Encounter FHIR resources to ensure referential integrity in OMOP CDM. In case FHIR resources are marked as deleted in the source, the processing is completed. Otherwise, the same semantic mapping logic as for bulk loading<sup id=\"rdp-ebb-cite_ref-:0_2-4\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup> applies afterward, and the data of the FHIR resources are written to OMOP CDM as new records with new OMOP ids.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Henke_JMIRMedInfo2023_11.png\" class=\"image wiki-link\" data-key=\"dab62712c495d7e6108820f6e4352f17\"><img alt=\"Fig1 Henke JMIRMedInfo2023 11.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/c8\/Fig1_Henke_JMIRMedInfo2023_11.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> Excerpt of the data flow of the Condition Processor. CDM: Common Data Model; FHIR: Fast Healthcare Interoperability Resources; OMOP: Observational Medical Outcomes Partnership.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Evaluation_of_the_incremental_load_process\">Evaluation of the incremental load process<\/span><\/h3>\n<p>For the evaluation of the incremental load process, we defined and executed two ETL test designs. First, we tested which approach to store the mapping between id and identifier used in FHIR with the id used in OMOP CDM was the most performant. For this purpose, we implemented a separate ETL process version for each approach. Afterward, we executed the ETL process as bulk load first and as incremental load afterward, and compared the execution times between the mapping table approach and the column approach. For further evaluation of the incremental load process, we have chosen the most performant approach, resulting in a new optimized ETL process version for the second ETL test design.\n<\/p><p>To test the achievement of the three requirements identified during the initial analysis of our ETL process, we defined and executed a second ETL test design (Table 2) that compares the results of bulk loading with those of incremental loading regarding performance and data correctness. Our hypotheses here are that the execution time of incremental loading alone is less than bulk loading, including daily updates, and that the amount of data per table in OMOP CDM is identical after incremental loading and bulk loading, including daily updates.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Extract-transform-load test design regarding performance and data correctness.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Test focus\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Hypothesis\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Performance\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">t(bulk loading (3 mon)) + t(incremental loading (1 d)) < t(bulk loading (3 mon)) + t(bulk loading (3 mon + 1 d))\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Data correctness\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">#((bulk loading (3 mon)) + (incremental loading (1 d))) = #(bulk loading (3 mon + 1 d))\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>For both ETL test designs, we used a total of 3,802,121 synthetic FHIR resources version R4 based on the MI-I CDS version 1.0, which were generated using random values. Furthermore, we simulated CUD-FHIR resources for testing incremental loading for one day. For the simulation, we checked the frequency distribution of CUD data per domain in our source system with real-world data for eight days and calculated the average value (see Multimedia Appendix 4). In addition, we set up one OMOP CDM v5.3.1 database as the target and executed the ETL process according to our test designs. For both ETL tests, we tracked the execution times based on the time stamps in the logging file of the ETL process until the corresponding job finished successfully. In a second step, we recorded the data quantity for each filled table in OMOP CDM and compared the results between the two ETL loading options for the second ETL test.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Architecture_of_the_ETL_process\">Architecture of the ETL process<\/span><\/h3>\n<p>The implemented ETL process extension for incremental loading of FHIR resources to OMOP CDM has not changed the basic architecture of the ETL process, as proposed by Peng <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_2-5\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup>, consisting of Reader, Processor, and Writer (Figure 2). The only addition is a switch at the beginning of the ETL process, which allows the user to select between bulk load and incremental load (requirement A). Moreover, we configured the Reader for incremental loading of CUD-FHIR resources on a daily basis (requirement B). In the Processor, we added the logic of the verification of CUD-FHIR resources and their deletion from OMOP CDM if they already exist (requirement C).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Henke_JMIRMedInfo2023_11.png\" class=\"image wiki-link\" data-key=\"2e830891972552df89e1b28c466a2830\"><img alt=\"Fig2 Henke JMIRMedInfo2023 11.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/18\/Fig2_Henke_JMIRMedInfo2023_11.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> Architecture of the FHIR-to-OMOP extract-transform-load process including incremental load. CDM: Common Data Model; FHIR: Fast Healthcare Interoperability Resources; OMOP: Observational Medical Outcomes Partnership.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The ETL process covering bulk and incremental load is available in the OHDSI repository ETL-German-FHIR-Core.<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Findings_of_the_first_ETL_test\">Findings of the first ETL test<\/span><\/h3>\n<p>The first ETL test focused on the performance measurement of the mapping table approach versus the column approach. First, we executed both ETL approaches as a bulk load. The column approach took about 30 minutes to transform FHIR resources to OMOP CDM. In contrast, the mapping table approach was still not finished after four hours. Therefore, we stopped the ETL execution and did not test the incremental loading anymore. Consequently, for the incremental ETL design, we decided to use the column approach due to its better performance and executed the subsequent performance evaluations with it.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Findings_of_the_second_ETL_test\">Findings of the second ETL test<\/span><\/h3>\n<p>The second ETL test dealt with testing our two hypotheses in Table 2. First, we compared the execution times between a bulk load (three months plus one day) and an initial bulk load (three months) followed by an incremental load (one day). For this, each loading option was executed three times. Based on the results, we calculated the average execution times. The performance results (Multimedia Appendix 5) show that an initial bulk load (13.31 minutes) followed by a daily incremental load (2.12 minutes) is more efficient than an everyday full load (17.07 minutes). Looking at the percentage improvement in performance, it can be shown that incremental loading had 87.5% less execution time than a daily full load (2.12 minutes compared to 17.07 minutes). Referring to our first hypothesis, we were able to prove our initial assumption.\n<\/p><p>After the execution of both loading options, we further checked the data quantity for each filled table in OMOP CDM and compared the results of it. As shown in Table 3, both loading options resulted in the same amount of data (Multimedia Appendix 5). Consequently, we were also able to confirm our second hypothesis regarding data correctness in OMOP CDM.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 3.<\/b> Results of the data quantity comparison in the Observational Medical Outcomes Partnership Common Data Model (OMOP CDM) between bulk and incremental load.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Data field\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Bulk load (three months + one day; <i>n<\/i>)\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Bulk load (three months) + incremental load (one day) (<i>n<\/i>)\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Care_site\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">152\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">152\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Condition_occurrence\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">800,640\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">800,640\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Death\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">857\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">857\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Drug_exposure\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1,171,521\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1,171,521\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Fact_relationship\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2,323,894\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2,323,894\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Measurement\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">231,369\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">231,369\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">511,844\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">511,844\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observation_period\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15,037\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15,037\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Person\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15,037\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15,037\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Procedure_occurrence\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">168,384\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">168,384\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Source_to_concept_map\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">251\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">251\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Visit_detail\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">43,929\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">43,929\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Visit_occurrence\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">29,898\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">29,898\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Principal_findings\">Principal findings<\/span><\/h3>\n<p>Based on the partial results for research questions one and two, we defined three methods to integrate incremental loading into our ETL process design. In this context, the three identified requirements from the initial analysis could be implemented by taking existing approaches from the literature into account (research question three). Moreover, the incremental load process was tested at 10 university hospitals in Germany and ensures daily data transfer to OMOP CDM for the CTRSS. This proves that the ETL process is also suitable for real-world data, although it was developed with synthetic data.\n<\/p><p>Currently, our ETL process requires FHIR resources following the MI-I core data set specification. However, our initial requirements analysis showed that the implemented incremental ETL logic does not affect the semantic mapping from FHIR to OMOP CDM described by Peng <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_2-6\" class=\"reference\"><a href=\"#cite_note-:0-2\">[2]<\/a><\/sup> In consequence, the incremental ETL logic is independent of the data available in the FHIR format. Therefore, it can be used to incrementally transform international FHIR profiles such as the US Core Profiles<sup id=\"rdp-ebb-cite_ref-26\" class=\"reference\"><a href=\"#cite_note-26\">[26]<\/a><\/sup> to OMOP CDM.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Limitations\">Limitations<\/span><\/h3>\n<p>Nevertheless, the ETL process has limitations in its execution capabilities. As our FHIR resources comprise a logical id corresponding to the id in our source system, our ETL process is currently not able to deal with changing server end points, resulting in changing logical ids. Additionally, so far, we have not included an option to automatically start incremental loading nor do we support real-time streaming (e.g., via Apache Kafka<sup id=\"rdp-ebb-cite_ref-27\" class=\"reference\"><a href=\"#cite_note-27\">[27]<\/a><\/sup>). These limitations are part of future work.\n<\/p><p>To evaluate incremental loading compared to bulk loading, we performed two ETL tests (research question four). The results of the performance tests showed that the column approach is more performant than the mapping table approach. Our suspected explanation for this is that the mapping table approach requires additional tables to be filled besides the standardized tables in OMOP CDM. Consequently, during the verification of FHIR resources in OMOP CDM, a lookup and deletion in several tables (mapping tables and standardized tables) is necessary, whereas the column approach only accesses the standardized tables.\n<\/p><p>Referring to our two hypotheses regarding performance and data correctness between incremental loading and bulk loading, we showed that our initial assumptions were proven. With the option of an incremental ETL process, we were able to reduce execution times to provide data in OMOP CDM on a daily basis, without data loss compared to the bulk load ETL process. For our future work, we want to further evaluate at what point bulk load is more worthwhile than incremental loading. The results of these evaluations will be incorporated into the automation concept.\n<\/p><p>During the productive use of the ETL process, we identified two issues that have to be considered in the context of incremental loading to OMOP CDM. First, OHDSI provides a wide range of open-source tools (e.g., ATLAS<sup id=\"rdp-ebb-cite_ref-28\" class=\"reference\"><a href=\"#cite_note-28\">[28]<\/a><\/sup>) for cohort definitions or statistical analyses. To make ATLAS work on the data in OMOP CDM, a summary report has to be generated in advance using ACHILLES<sup id=\"rdp-ebb-cite_ref-29\" class=\"reference\"><a href=\"#cite_note-29\">[29]<\/a><\/sup> (Automated Characterization of Health Information at Large-Scale Longitudinal Evidence Systems), an <a href=\"https:\/\/www.limswiki.org\/index.php\/R_(programming_language)\" title=\"R (programming language)\" class=\"wiki-link\" data-key=\"1b0aa598f071aca4c5b4ee08d8bb2bde\">R package<\/a> that provides characterization and visualization. Regarding the incremental ETL process, ACHILLES has to be run after each successful execution of the incremental ETL process.\n<\/p><p>A second issue that needs to be addressed relates to the ids in the standardized tables in OMOP CDM. The incremental loading process requires the assignment of new ids in the OMOP CDM. While this was not a problem during development, it becomes obvious when a large amount of data is processed. In this context, the maximum id in the tables of OMOP CDM was reached, which led to a failure of the ETL process. We need to pay special attention to this point and find a solution (e.g., by reusing deleted ids or by changing the ETL process in a real updating ETL process). As this problem does not occur during the bulk load process, a current workaround is to start that process if the incremental load fails, which is possible as our process comprises bulk and incremental load options.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions\">Conclusions<\/span><\/h2>\n<p>The presented ETL process from FHIR to OMOP CDM now enables both bulk and incremental loading. To receive daily updated recruitment proposals with the CTRSS, the ETL process no longer needs to be executed as a bulk load every day. One initial load supplemented by incremental loads per day meets the requirements of the CTRSS while being more performant. Moreover, since the incremental ETL logic is not restricted to the MI-I CDS specification, it can also be used for international studies that require daily updated data from FHIR resources in OMOP CDM. To be able to use not only the logic of incremental loading internationally, but the whole ETL process itself, the support of arbitrary FHIR profiles is needed. This requires a modularization and generalization of current ETL processes. For that, we will evaluate the extension to metadata-driven ETL in the near future.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>ACHILLES<\/b>: Automated Characterization of Health Information at Large-Scale Longitudinal Evidence Systems<\/li>\n<li><b>CDC<\/b>: change data capture<\/li>\n<li><b>CDM<\/b>: Common Data Model<\/li>\n<li><b>CDS<\/b>: Core Data Set<\/li>\n<li><b>CTRSS<\/b>: clinical trial recruitment support system<\/li>\n<li><b>CUD<\/b>: created, updated, or deleted<\/li>\n<li><b>ETL<\/b>: extract-transform-load<\/li>\n<li><b>FHIR<\/b>: Fast Healthcare Interoperability Resources<\/li>\n<li><b>HL7<\/b>: Health Level Seven<\/li>\n<li><b>MI-I<\/b>: Medical Informatics Initiative Germany<\/li>\n<li><b>MIRACUM<\/b>: Medical Informatics in Research and Care in University Medicine<\/li>\n<li><b>OHDSI<\/b>: Observational Health Data Sciences and Informatics<\/li>\n<li><b>OMOP<\/b>: Observational Medical Outcomes Partnership<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Supplementary_information\">Supplementary information<\/span><\/h2>\n<ul><li><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmir.org\/api\/download?alt_name=medinform_v11i1e47310_app1.xlsx&filename=89f74351-403d-11ee-9361-2d531ddb8182.xlsx\" target=\"_blank\">Multimedia Appendix 1<\/a>: Results and screenings of the literature review on July 14, 2021 (.xlsx)<\/li>\n<li><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmir.org\/api\/download?alt_name=medinform_v11i1e47310_app2.xlsx&filename=8a2dbca1-403d-11ee-9361-2d531ddb8182.xlsx\" target=\"_blank\">Multimedia Appendix 2<\/a>: Results and screenings of the literature review on November 28, 2022 (.xlsx)<\/li>\n<li><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmir.org\/api\/download?alt_name=medinform_v11i1e47310_app3.xlsx&filename=8a56c871-403d-11ee-9361-2d531ddb8182.xlsx\" target=\"_blank\">Multimedia Appendix 3<\/a>: Results and screenings of the literature review on February 22, 2023 (.xlsx)<\/li>\n<li><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmir.org\/api\/download?alt_name=medinform_v11i1e47310_app4.xlsx&filename=8a7cc701-403d-11ee-9361-2d531ddb8182.xlsx\" target=\"_blank\">Multimedia Appendix 4<\/a>: Frequency distribution of created, updated, and deleted data (.xlsx)<\/li>\n<li><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jmir.org\/api\/download?alt_name=medinform_v11i1e47310_app5.xlsx&filename=8a95cd41-403d-11ee-9361-2d531ddb8182.xlsx\" target=\"_blank\">Multimedia Appendix 5<\/a>: Results of the second extract-transform-load test.<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The research reported in this work was accomplished as part of the German Federal Ministry of Education and Research within the Medical Informatics Initiative, Medical Informatics in Research and Care in University Medicine (MIRACUM) consortium (FKZ: 01lZZ180L; Dresden). The article processing charge was funded by the joint publication funds of the Technische Universit\u00e4t, Dresden, including the Carl Gustav Carus Faculty of Medicine, and the S\u00e4chsische Landesbibliothek \u2013 Staats- und Universit\u00e4tsbibliothek, Dresden, as well as the Open Access Publication Funding of the Deutsche Forschungsgemeinschaft.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>All authors contributed substantially to this work. EH and MZ conducted the literature review. EH and YP contributed to the extract-transform-load (ETL) process design and implementation. EH, YP, IR, and FB reviewed the ETL process design and implementation. YP contributed to the ETL process execution and evaluation. EH prepared the original draft. EH, YP, IR, FB, MZ, and MS reviewed and edited the manuscript. MS contributed toward the resources. All authors have read and agreed to the current version of the manuscript and take responsibility for the scientific integrity of the work.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflicts_of_interest\">Conflicts of interest<\/span><\/h3>\n<p>None declared.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hariton, Eduardo; Locascio, Joseph J (1 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/obgyn.onlinelibrary.wiley.com\/doi\/10.1111\/1471-0528.15199\" target=\"_blank\">\"Randomised controlled trials \u2013 the gold standard for effectiveness research: Study design: randomised controlled trials\"<\/a> (in en). <i>BJOG: An International Journal of Obstetrics & Gynaecology<\/i> <b>125<\/b> (13): 1716\u20131716. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2F1471-0528.15199\" target=\"_blank\">10.1111\/1471-0528.15199<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1470-0328\" target=\"_blank\">1470-0328<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6235704\/\" target=\"_blank\">PMC6235704<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29916205\" target=\"_blank\">29916205<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/obgyn.onlinelibrary.wiley.com\/doi\/10.1111\/1471-0528.15199\" target=\"_blank\">https:\/\/obgyn.onlinelibrary.wiley.com\/doi\/10.1111\/1471-0528.15199<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Randomised+controlled+trials+%E2%80%93+the+gold+standard+for+effectiveness+research%3A+Study+design%3A+randomised+controlled+trials&rft.jtitle=BJOG%3A+An+International+Journal+of+Obstetrics+%26+Gynaecology&rft.aulast=Hariton&rft.aufirst=Eduardo&rft.au=Hariton%2C%26%2332%3BEduardo&rft.au=Locascio%2C%26%2332%3BJoseph+J&rft.date=1+December+2018&rft.volume=125&rft.issue=13&rft.pages=1716%E2%80%931716&rft_id=info:doi\/10.1111%2F1471-0528.15199&rft.issn=1470-0328&rft_id=info:pmc\/PMC6235704&rft_id=info:pmid\/29916205&rft_id=https%3A%2F%2Fobgyn.onlinelibrary.wiley.com%2Fdoi%2F10.1111%2F1471-0528.15199&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-2\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_2-0\">2.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-1\">2.1<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-2\">2.2<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-3\">2.3<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-4\">2.4<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-5\">2.5<\/a><\/sup> <sup><a href=\"#cite_ref-:0_2-6\">2.6<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Peng, Yuan; Henke, Elisa; Reinecke, Ines; Zoch, Mich\u00e9le; Sedlmayr, Martin; Bathelt, Franziska (1 January 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386505622002398\" target=\"_blank\">\"An ETL-process design for data harmonization to participate in international research with German real-world data based on FHIR and OMOP CDM\"<\/a> (in en). <i>International Journal of Medical Informatics<\/i> <b>169<\/b>: 104925. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.ijmedinf.2022.104925\" target=\"_blank\">10.1016\/j.ijmedinf.2022.104925<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386505622002398\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386505622002398<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=An+ETL-process+design+for+data+harmonization+to+participate+in+international+research+with+German+real-world+data+based+on+FHIR+and+OMOP+CDM&rft.jtitle=International+Journal+of+Medical+Informatics&rft.aulast=Peng&rft.aufirst=Yuan&rft.au=Peng%2C%26%2332%3BYuan&rft.au=Henke%2C%26%2332%3BElisa&rft.au=Reinecke%2C%26%2332%3BInes&rft.au=Zoch%2C%26%2332%3BMich%C3%A9le&rft.au=Sedlmayr%2C%26%2332%3BMartin&rft.au=Bathelt%2C%26%2332%3BFranziska&rft.date=1+January+2023&rft.volume=169&rft.pages=104925&rft_id=info:doi\/10.1016%2Fj.ijmedinf.2022.104925&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1386505622002398&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-3\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-3\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ohdsi.org\/data-standardization\/\" target=\"_blank\">\"Standardized Data: The OMOP Common Data Model\"<\/a>. Observational Health Data Sciences and Informatics. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ohdsi.org\/data-standardization\/\" target=\"_blank\">https:\/\/www.ohdsi.org\/data-standardization\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Standardized+Data%3A+The+OMOP+Common+Data+Model&rft.atitle=&rft.date=2023&rft.pub=Observational+Health+Data+Sciences+and+Informatics&rft_id=https%3A%2F%2Fwww.ohdsi.org%2Fdata-standardization%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-4\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-4\">\u2191<\/a><\/span> <span 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data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/4815923\/\" target=\"_blank\">4815923<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26262116\" target=\"_blank\">26262116<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/26262116\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/26262116<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Observational+Health+Data+Sciences+and+Informatics+%28OHDSI%29%3A+Opportunities+for+Observational+Researchers&rft.jtitle=Studies+in+Health+Technology+and+Informatics&rft.aulast=Hripcsak&rft.aufirst=George&rft.au=Hripcsak%2C%26%2332%3BGeorge&rft.au=Duke%2C%26%2332%3BJon+D.&rft.au=Shah%2C%26%2332%3BNigam+H.&rft.au=Reich%2C%26%2332%3BChristian+G.&rft.au=Huser%2C%26%2332%3BVojtech&rft.au=Schuemie%2C%26%2332%3BMartijn+J.&rft.au=Suchard%2C%26%2332%3BMarc+A.&rft.au=Park%2C%26%2332%3BRae+Woong&rft.au=Wong%2C%26%2332%3BIan+Chi+Kei&rft.date=2015&rft.volume=216&rft.pages=574%E2%80%93578&rft.issn=1879-8365&rft_id=info:pmc\/4815923&rft_id=info:pmid\/26262116&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F26262116&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-5\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-5\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Semler, Sebastian; Wissing, Frank; Heyder, Ralf (1 July 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME18-03-0003\" target=\"_blank\">\"German Medical Informatics Initiative: A National Approach to Integrating Health Data from Patient Care and Medical Research\"<\/a> (in en). <i>Methods of Information in Medicine<\/i> <b>57<\/b> (S 01): e50\u2013e56. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3414%2FME18-03-0003\" target=\"_blank\">10.3414\/ME18-03-0003<\/a>. <a rel=\"nofollow\" 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free\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME18-03-0003\" target=\"_blank\">http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME18-03-0003<\/a><\/span>.<\/span><span class=\"Z3988\" 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Retrieved 07 November 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=OMOP+CDM+v5.3.1&rft.atitle=GitHub&rft.aulast=OHDSI&rft.au=OHDSI&rft_id=https%3A%2F%2Fohdsi.github.io%2FCommonDataModel%2Fcdm531.html&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Spring. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/web.archive.org\/web\/20220815163728\/https:\/\/docs.spring.io\/spring-batch\/docs\/current\/reference\/html\/index.html\" target=\"_blank\">\"Spring Batch - Reference Documentation\"<\/a>. 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Retrieved 07 November 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Spring+Batch+-+Reference+Documentation&rft.atitle=&rft.aulast=Spring&rft.au=Spring&rft.pub=Pivotal%2C+Inc&rft_id=https%3A%2F%2Fweb.archive.org%2Fweb%2F20220815163728%2Fhttps%3A%2F%2Fdocs.spring.io%2Fspring-batch%2Fdocs%2Fcurrent%2Freference%2Fhtml%2Findex.html&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ohdsi.github.io\/TheBookOfOhdsi\/\" target=\"_blank\">\"The Book of OHDSI\"<\/a>. <i>GitHub<\/i>. OHDSI. 11 January 2021<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ohdsi.github.io\/TheBookOfOhdsi\/\" target=\"_blank\">https:\/\/ohdsi.github.io\/TheBookOfOhdsi\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 19 April 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=The+Book+of+OHDSI&rft.atitle=GitHub&rft.date=11+January+2021&rft.pub=OHDSI&rft_id=https%3A%2F%2Fohdsi.github.io%2FTheBookOfOhdsi%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Prokosch, Hans-Ulrich; Acker, Till; Bernarding, Johannes; Binder, Harald; Boeker, Martin; Boerries, Melanie; Daumke, Philipp; Ganslandt, Thomas <i>et al.<\/i> (1 July 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME17-02-0025\" target=\"_blank\">\"MIRACUM: Medical Informatics in Research and Care in University Medicine: A Large Data Sharing Network to Enhance Translational Research and Medical Care\"<\/a> (in en). <i>Methods of Information in Medicine<\/i> <b>57<\/b> (S 01): e82\u2013e91. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3414%2FME17-02-0025\" target=\"_blank\">10.3414\/ME17-02-0025<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0026-1270\" target=\"_blank\">0026-1270<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6178200\/\" target=\"_blank\">PMC6178200<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30016814\" target=\"_blank\">30016814<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME17-02-0025\" target=\"_blank\">http:\/\/www.thieme-connect.de\/DOI\/DOI?10.3414\/ME17-02-0025<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=MIRACUM%3A+Medical+Informatics+in+Research+and+Care+in+University+Medicine%3A+A+Large+Data+Sharing+Network+to+Enhance+Translational+Research+and+Medical+Care&rft.jtitle=Methods+of+Information+in+Medicine&rft.aulast=Prokosch&rft.aufirst=Hans-Ulrich&rft.au=Prokosch%2C%26%2332%3BHans-Ulrich&rft.au=Acker%2C%26%2332%3BTill&rft.au=Bernarding%2C%26%2332%3BJohannes&rft.au=Binder%2C%26%2332%3BHarald&rft.au=Boeker%2C%26%2332%3BMartin&rft.au=Boerries%2C%26%2332%3BMelanie&rft.au=Daumke%2C%26%2332%3BPhilipp&rft.au=Ganslandt%2C%26%2332%3BThomas&rft.au=Hesser%2C%26%2332%3BJ%C3%BCrgen&rft.date=1+July+2018&rft.volume=57&rft.issue=S+01&rft.pages=e82%E2%80%93e91&rft_id=info:doi\/10.3414%2FME17-02-0025&rft.issn=0026-1270&rft_id=info:pmc\/PMC6178200&rft_id=info:pmid\/30016814&rft_id=http%3A%2F%2Fwww.thieme-connect.de%2FDOI%2FDOI%3F10.3414%2FME17-02-0025&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Reinecke, Ines; Gulden, Christian; K&#252; Mmel, Mich&#233; le; Nassirian, Azadeh; Blasini, Romina; Sedlmayr, Martin (2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ebooks.iospress.nl\/doi\/10.3233\/SHTI200142\" target=\"_blank\">\"Design for a Modular Clinical Trial Recruitment Support System Based on FHIR and OMOP\"<\/a>. <i>Digital Personalized Health and Medicine<\/i>: 158\u2013162. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3233%2FSHTI200142\" target=\"_blank\">10.3233\/SHTI200142<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ebooks.iospress.nl\/doi\/10.3233\/SHTI200142\" target=\"_blank\">https:\/\/ebooks.iospress.nl\/doi\/10.3233\/SHTI200142<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Design+for+a+Modular+Clinical+Trial+Recruitment+Support+System+Based+on+FHIR+and+OMOP&rft.jtitle=Digital+Personalized+Health+and+Medicine&rft.aulast=Reinecke&rft.aufirst=Ines&rft.au=Reinecke%2C%26%2332%3BInes&rft.au=Gulden%2C%26%2332%3BChristian&rft.au=K%26%23252&rft.au=Mmel%2C%26%2332%3BMich%26%23233&rft.au=le&rft.au=Nassirian%2C%26%2332%3BAzadeh&rft.au=Blasini%2C%26%2332%3BRomina&rft.au=Sedlmayr%2C%26%2332%3BMartin&rft.date=2020&rft.pages=158%E2%80%93162&rft_id=info:doi\/10.3233%2FSHTI200142&rft_id=https%3A%2F%2Febooks.iospress.nl%2Fdoi%2F10.3233%2FSHTI200142&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-16\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_16-0\">16.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_16-1\">16.1<\/a><\/sup> <sup><a href=\"#cite_ref-:1_16-2\">16.2<\/a><\/sup> <sup><a href=\"#cite_ref-:1_16-3\">16.3<\/a><\/sup> <sup><a href=\"#cite_ref-:1_16-4\">16.4<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lynch, Kristine E.; Deppen, Stephen A.; DuVall, Scott L.; Viernes, Benjamin; Cao, Aize; Park, Daniel; Hanchrow, Elizabeth; Hewa, Kushan <i>et al.<\/i> (1 October 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0039-1697598\" target=\"_blank\">\"Incrementally Transforming Electronic Medical Records into the Observational Medical Outcomes Partnership Common Data Model: A Multidimensional Quality Assurance Approach\"<\/a> (in en). <i>Applied Clinical Informatics<\/i> <b>10<\/b> (05): 794\u2013803. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1055%2Fs-0039-1697598\" target=\"_blank\">10.1055\/s-0039-1697598<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1869-0327\" target=\"_blank\">1869-0327<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6811349\/\" target=\"_blank\">PMC6811349<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31645076\" target=\"_blank\">31645076<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0039-1697598\" target=\"_blank\">http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0039-1697598<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Incrementally+Transforming+Electronic+Medical+Records+into+the+Observational+Medical+Outcomes+Partnership+Common+Data+Model%3A+A+Multidimensional+Quality+Assurance+Approach&rft.jtitle=Applied+Clinical+Informatics&rft.aulast=Lynch&rft.aufirst=Kristine+E.&rft.au=Lynch%2C%26%2332%3BKristine+E.&rft.au=Deppen%2C%26%2332%3BStephen+A.&rft.au=DuVall%2C%26%2332%3BScott+L.&rft.au=Viernes%2C%26%2332%3BBenjamin&rft.au=Cao%2C%26%2332%3BAize&rft.au=Park%2C%26%2332%3BDaniel&rft.au=Hanchrow%2C%26%2332%3BElizabeth&rft.au=Hewa%2C%26%2332%3BKushan&rft.au=Greaves%2C%26%2332%3BPeter&rft.date=1+October+2019&rft.volume=10&rft.issue=05&rft.pages=794%E2%80%93803&rft_id=info:doi\/10.1055%2Fs-0039-1697598&rft.issn=1869-0327&rft_id=info:pmc\/PMC6811349&rft_id=info:pmid\/31645076&rft_id=http%3A%2F%2Fwww.thieme-connect.de%2FDOI%2FDOI%3F10.1055%2Fs-0039-1697598&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kahn, Michael G.; Callahan, Tiffany J.; Barnard, Juliana; Bauck, Alan E.; Brown, Jeff; Davidson, Bruce N.; Estiri, Hossein; Goerg, Carsten <i>et al.<\/i> (11 September 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/up-j-gemgem.ubiquityjournal.website\/articles\/141\" target=\"_blank\">\"A Harmonized Data Quality Assessment Terminology and Framework for the Secondary Use of Electronic Health Record Data\"<\/a>. <i>eGEMs (Generating Evidence & Methods to improve patient outcomes)<\/i> <b>4<\/b> (1): 18. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.13063%2F2327-9214.1244\" target=\"_blank\">10.13063\/2327-9214.1244<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2327-9214\" target=\"_blank\">2327-9214<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5051581\/\" target=\"_blank\">PMC5051581<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/27713905\" target=\"_blank\">27713905<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/up-j-gemgem.ubiquityjournal.website\/articles\/141\" target=\"_blank\">https:\/\/up-j-gemgem.ubiquityjournal.website\/articles\/141<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Harmonized+Data+Quality+Assessment+Terminology+and+Framework+for+the+Secondary+Use+of+Electronic+Health+Record+Data&rft.jtitle=eGEMs+%28Generating+Evidence+%26+Methods+to+improve+patient+outcomes%29&rft.aulast=Kahn&rft.aufirst=Michael+G.&rft.au=Kahn%2C%26%2332%3BMichael+G.&rft.au=Callahan%2C%26%2332%3BTiffany+J.&rft.au=Barnard%2C%26%2332%3BJuliana&rft.au=Bauck%2C%26%2332%3BAlan+E.&rft.au=Brown%2C%26%2332%3BJeff&rft.au=Davidson%2C%26%2332%3BBruce+N.&rft.au=Estiri%2C%26%2332%3BHossein&rft.au=Goerg%2C%26%2332%3BCarsten&rft.au=Holve%2C%26%2332%3BErin&rft.date=11+September+2016&rft.volume=4&rft.issue=1&rft.pages=18&rft_id=info:doi\/10.13063%2F2327-9214.1244&rft.issn=2327-9214&rft_id=info:pmc\/PMC5051581&rft_id=info:pmid\/27713905&rft_id=https%3A%2F%2Fup-j-gemgem.ubiquityjournal.website%2Farticles%2F141&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-18\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_18-0\">18.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_18-1\">18.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_18-2\">18.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lenert, Leslie A; Ilatovskiy, Andrey V; Agnew, James; Rudisill, Patricia; Jacobs, Jeff; Weatherston, Duncan; Deans Jr, Kenneth R (30 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jamia\/article\/28\/8\/1605\/6276433\" target=\"_blank\">\"Automated production of research data marts from a canonical fast healthcare interoperability resource data repository: applications to COVID-19 research\"<\/a> (in en). <i>Journal of the American Medical Informatics Association<\/i> <b>28<\/b> (8): 1605\u20131611. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fjamia%2Focab108\" target=\"_blank\">10.1093\/jamia\/ocab108<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1527-974X\" target=\"_blank\">1527-974X<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8243354\/\" target=\"_blank\">PMC8243354<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33993254\" target=\"_blank\">33993254<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jamia\/article\/28\/8\/1605\/6276433\" target=\"_blank\">https:\/\/academic.oup.com\/jamia\/article\/28\/8\/1605\/6276433<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Automated+production+of+research+data+marts+from+a+canonical+fast+healthcare+interoperability+resource+data+repository%3A+applications+to+COVID-19+research&rft.jtitle=Journal+of+the+American+Medical+Informatics+Association&rft.aulast=Lenert&rft.aufirst=Leslie+A&rft.au=Lenert%2C%26%2332%3BLeslie+A&rft.au=Ilatovskiy%2C%26%2332%3BAndrey+V&rft.au=Agnew%2C%26%2332%3BJames&rft.au=Rudisill%2C%26%2332%3BPatricia&rft.au=Jacobs%2C%26%2332%3BJeff&rft.au=Weatherston%2C%26%2332%3BDuncan&rft.au=Deans+Jr%2C%26%2332%3BKenneth+R&rft.date=30+July+2021&rft.volume=28&rft.issue=8&rft.pages=1605%E2%80%931611&rft_id=info:doi\/10.1093%2Fjamia%2Focab108&rft.issn=1527-974X&rft_id=info:pmc\/PMC8243354&rft_id=info:pmid\/33993254&rft_id=https%3A%2F%2Facademic.oup.com%2Fjamia%2Farticle%2F28%2F8%2F1605%2F6276433&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kathiravelu, Pradeeban; Sharma, Ashish; Galhardas, Helena; Van Roy, Peter; Veiga, Lu\u00eds (1 June 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10619-018-7248-y\" target=\"_blank\">\"On-demand big data integration: A hybrid ETL approach for reproducible scientific research\"<\/a> (in en). <i>Distributed and Parallel Databases<\/i> <b>37<\/b> (2): 273\u2013295. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10619-018-7248-y\" target=\"_blank\">10.1007\/s10619-018-7248-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0926-8782\" target=\"_blank\">0926-8782<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10619-018-7248-y\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10619-018-7248-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=On-demand+big+data+integration%3A+A+hybrid+ETL+approach+for+reproducible+scientific+research&rft.jtitle=Distributed+and+Parallel+Databases&rft.aulast=Kathiravelu&rft.aufirst=Pradeeban&rft.au=Kathiravelu%2C%26%2332%3BPradeeban&rft.au=Sharma%2C%26%2332%3BAshish&rft.au=Galhardas%2C%26%2332%3BHelena&rft.au=Van+Roy%2C%26%2332%3BPeter&rft.au=Veiga%2C%26%2332%3BLu%C3%ADs&rft.date=1+June+2019&rft.volume=37&rft.issue=2&rft.pages=273%E2%80%93295&rft_id=info:doi\/10.1007%2Fs10619-018-7248-y&rft.issn=0926-8782&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10619-018-7248-y&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-20\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_20-0\">20.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_20-1\">20.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wen, Wei Jun (1 October 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.scientific.net\/AMM.668-669.1378\" target=\"_blank\">\"Research on the Incremental Updating Mechanism of Marine Environmental Data Warehouse\"<\/a>. <i>Applied Mechanics and Materials<\/i> <b>668-669<\/b>: 1378\u20131381. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4028%2Fwww.scientific.net%2FAMM.668-669.1378\" target=\"_blank\">10.4028\/www.scientific.net\/AMM.668-669.1378<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1662-7482\" target=\"_blank\">1662-7482<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.scientific.net\/AMM.668-669.1378\" target=\"_blank\">https:\/\/www.scientific.net\/AMM.668-669.1378<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Research+on+the+Incremental+Updating+Mechanism+of+Marine+Environmental+Data+Warehouse&rft.jtitle=Applied+Mechanics+and+Materials&rft.aulast=Wen&rft.aufirst=Wei+Jun&rft.au=Wen%2C%26%2332%3BWei+Jun&rft.date=1+October+2014&rft.volume=668-669&rft.pages=1378%E2%80%931381&rft_id=info:doi\/10.4028%2Fwww.scientific.net%2FAMM.668-669.1378&rft.issn=1662-7482&rft_id=https%3A%2F%2Fwww.scientific.net%2FAMM.668-669.1378&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation book\">Smys, S.; Senjyu, Tomonobu; Lafata, Pavel, eds. (2020) (in en). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-030-37051-0\" target=\"_blank\"><i>Second International Conference on Computer Networks and Communication Technologies: ICCNCT 2019<\/i><\/a>. Lecture Notes on Data Engineering and Communications Technologies. <b>44<\/b>. Cham: Springer International Publishing. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-3-030-37051-0\" target=\"_blank\">10.1007\/978-3-030-37051-0<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-030-37050-3<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-030-37051-0\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/978-3-030-37051-0<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Second+International+Conference+on+Computer+Networks+and+Communication+Technologies%3A+ICCNCT+2019&rft.date=2020&rft.series=Lecture+Notes+on+Data+Engineering+and+Communications+Technologies&rft.volume=44&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-030-37051-0&rft.isbn=978-3-030-37050-3&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-030-37051-0&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-22\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_22-0\">22.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_22-1\">22.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sun, Yue-yue (1 May 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ieeexplore.ieee.org\/document\/9814725\/\" target=\"_blank\">\"Research and implementation of an efficient incremental synchronization method based on Timestamp\"<\/a>. <i>2022 3rd International Conference on Computing, Networks and Internet of Things (CNIOT)<\/i> (Qingdao, China: IEEE): 158\u2013162. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1109%2FCNIOT55862.2022.00035\" target=\"_blank\">10.1109\/CNIOT55862.2022.00035<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-6654-6910-4<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ieeexplore.ieee.org\/document\/9814725\/\" target=\"_blank\">https:\/\/ieeexplore.ieee.org\/document\/9814725\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Research+and+implementation+of+an+efficient+incremental+synchronization+method+based+on+Timestamp&rft.jtitle=2022+3rd+International+Conference+on+Computing%2C+Networks+and+Internet+of+Things+%28CNIOT%29&rft.aulast=Sun&rft.aufirst=Yue-yue&rft.au=Sun%2C%26%2332%3BYue-yue&rft.date=1+May+2022&rft.pages=158%E2%80%93162&rft.place=Qingdao%2C+China&rft.pub=IEEE&rft_id=info:doi\/10.1109%2FCNIOT55862.2022.00035&rft.isbn=978-1-6654-6910-4&rft_id=https%3A%2F%2Fieeexplore.ieee.org%2Fdocument%2F9814725%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-23\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_23-0\">23.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_23-1\">23.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hu, Yong; Dessloch, Stefan (1 September 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0169023X14000615\" target=\"_blank\">\"Extracting deltas from column oriented NoSQL databases for different incremental applications and diverse data targets\"<\/a> (in en). <i>Data & Knowledge Engineering<\/i> <b>93<\/b>: 42\u201359. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.datak.2014.07.002\" target=\"_blank\">10.1016\/j.datak.2014.07.002<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0169023X14000615\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0169023X14000615<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Extracting+deltas+from+column+oriented+NoSQL+databases+for+different+incremental+applications+and+diverse+data+targets&rft.jtitle=Data+%26+Knowledge+Engineering&rft.aulast=Hu&rft.aufirst=Yong&rft.au=Hu%2C%26%2332%3BYong&rft.au=Dessloch%2C%26%2332%3BStefan&rft.date=1+September+2014&rft.volume=93&rft.pages=42%E2%80%9359&rft_id=info:doi\/10.1016%2Fj.datak.2014.07.002&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0169023X14000615&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-24\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_24-0\">24.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_24-1\">24.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wei Du; Zou, Xianxia (1 August 2015). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ieeexplore.ieee.org\/document\/7382113\/\" target=\"_blank\">\"Differential snapshot algorithms based on Hadoop MapReduce\"<\/a>. <i>2015 12th International Conference on Fuzzy Systems and Knowledge Discovery (FSKD)<\/i> (Zhangjiajie, China: IEEE): 1203\u20131208. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1109%2FFSKD.2015.7382113\" target=\"_blank\">10.1109\/FSKD.2015.7382113<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4673-7682-2<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/ieeexplore.ieee.org\/document\/7382113\/\" target=\"_blank\">http:\/\/ieeexplore.ieee.org\/document\/7382113\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Differential+snapshot+algorithms+based+on+Hadoop+MapReduce&rft.jtitle=2015+12th+International+Conference+on+Fuzzy+Systems+and+Knowledge+Discovery+%28FSKD%29&rft.aulast=Wei+Du&rft.au=Wei+Du&rft.au=Zou%2C%26%2332%3BXianxia&rft.date=1+August+2015&rft.pages=1203%E2%80%931208&rft.place=Zhangjiajie%2C+China&rft.pub=IEEE&rft_id=info:doi\/10.1109%2FFSKD.2015.7382113&rft.isbn=978-1-4673-7682-2&rft_id=http%3A%2F%2Fieeexplore.ieee.org%2Fdocument%2F7382113%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">OHDSI (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/OHDSI\/ETL-German-FHIR-Core\" target=\"_blank\">\"OHDSI \/ ETL-German-FHIR-Core\"<\/a>. <i>GitHub<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/OHDSI\/ETL-German-FHIR-Core\" target=\"_blank\">https:\/\/github.com\/OHDSI\/ETL-German-FHIR-Core<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 15 March 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=OHDSI+%2F+ETL-German-FHIR-Core&rft.atitle=GitHub&rft.aulast=OHDSI&rft.au=OHDSI&rft.date=2023&rft_id=https%3A%2F%2Fgithub.com%2FOHDSI%2FETL-German-FHIR-Core&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-26\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-26\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.hl7.org\/fhir\/us\/core\/\" target=\"_blank\">\"US Core Implementation Guide\"<\/a>. <i>HL7 FHIR<\/i>. Health Level 7 International. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.hl7.org\/fhir\/us\/core\/\" target=\"_blank\">https:\/\/www.hl7.org\/fhir\/us\/core\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 15 March 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=US+Core+Implementation+Guide&rft.atitle=HL7+FHIR&rft.date=2023&rft.pub=Health+Level+7+International&rft_id=https%3A%2F%2Fwww.hl7.org%2Ffhir%2Fus%2Fcore%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-27\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/kafka.apache.org\/\" target=\"_blank\">\"Apache Kafka\"<\/a>. Apache Software Foundation. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/kafka.apache.org\/\" target=\"_blank\">https:\/\/kafka.apache.org\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 15 March 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Apache+Kafka&rft.atitle=&rft.date=2023&rft.pub=Apache+Software+Foundation&rft_id=https%3A%2F%2Fkafka.apache.org%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-28\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-28\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">OHDSI (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/OHDSI\/Atlas\" target=\"_blank\">\"OHDSI \/ Atlas\"<\/a>. <i>GitHub<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/OHDSI\/Atlas\" target=\"_blank\">https:\/\/github.com\/OHDSI\/Atlas<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 15 March 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=OHDSI+%2F+Atlas&rft.atitle=GitHub&rft.aulast=OHDSI&rft.au=OHDSI&rft.date=2023&rft_id=https%3A%2F%2Fgithub.com%2FOHDSI%2FAtlas&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-29\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-29\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">OHDSI (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/OHDSI\/Achilles\" target=\"_blank\">\"OHDSI \/ Achilles\"<\/a>. <i>GitHub<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/OHDSI\/Achilles\" target=\"_blank\">https:\/\/github.com\/OHDSI\/Achilles<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 15 March 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=OHDSI+%2F+Achilles&rft.atitle=GitHub&rft.aulast=OHDSI&rft.au=OHDSI&rft.date=2023&rft_id=https%3A%2F%2Fgithub.com%2FOHDSI%2FAchilles&rfr_id=info:sid\/en.wikipedia.org:Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation, though grammar and word usage was substantially updated for improved readability. In some cases important information was missing from the references, and that information was added.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104050446\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.719 seconds\nReal time usage: 0.883 seconds\nPreprocessor visited node count: 27652\/1000000\nPost\u2010expand include size: 225526\/2097152 bytes\nTemplate argument size: 69398\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 65132\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 629.445 1 -total\n 83.67% 526.664 1 Template:Reflist\n 56.25% 354.046 29 Template:Citation\/core\n 40.93% 257.643 15 Template:Cite_journal\n 18.51% 116.529 13 Template:Cite_web\n 9.04% 56.926 26 Template:Date\n 8.01% 50.413 1 Template:Infobox_journal_article\n 6.86% 43.194 1 Template:Infobox\n 6.73% 42.370 42 Template:Citation\/identifier\n 3.75% 23.624 80 Template:Infobox\/row\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14491-0!canonical and timestamp 20240104050445 and revision id 53653. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation\">https:\/\/www.limswiki.org\/index.php\/Journal:An_extract-transform-load_process_design_for_the_incremental_loading_of_German_real-world_data_based_on_FHIR_and_OMOP_CDM:_Algorithm_development_and_validation<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","364760e880a056f2ab5d0e7bb21b9f58_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/c\/c8\/Fig1_Henke_JMIRMedInfo2023_11.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/18\/Fig2_Henke_JMIRMedInfo2023_11.png"],"364760e880a056f2ab5d0e7bb21b9f58_timestamp":1704389296,"a6564f37a9f33293ed1e7c891432fbfe_type":"article","a6564f37a9f33293ed1e7c891432fbfe_title":"Benefits of information technology in healthcare: Artificial intelligence, internet of things, and personal health records (Chang et al. 2023)","a6564f37a9f33293ed1e7c891432fbfe_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records","a6564f37a9f33293ed1e7c891432fbfe_plaintext":"\n\nJournal:Benefits of information technology in healthcare: Artificial intelligence, internet of things, and personal health recordsFrom LIMSWikiJump to navigationJump to searchFull article title\n \nBenefits of information technology in healthcare: Artificial intelligence, internet of things, and personal health recordsJournal\n \nHealthcare Informatics ResearchAuthor(s)\n \nChang, Hyejung; Choi, Jae-Young; Shim, Jaesun; Kim, Mihui; Choi, MonaAuthor affiliation(s)\n \nKyung Hee University, Hallym University, Seoul Health Foundation, Jeonju University, Yonsei UniversityPrimary contact\n \nEmail: monachoi at yuhs dot acYear published\n \n2023Volume and issue\n \n29(4)Page(s)\n \n323-333DOI\n \n10.4258\/hir.2023.29.4.323ISSN\n \n2093-369XDistribution license\n \nCreative Commons Attribution Non-Commercial 4.0 InternationalWebsite\n \nhttps:\/\/e-hir.org\/journal\/view.php?doi=10.4258\/hir.2023.29.4.323Download\n \nhttps:\/\/e-hir.org\/upload\/pdf\/hir-2023-29-4-323.pdf (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n\n2.1 Areas of focus in this study on HIT \n\n2.1.1 Artificial intelligence \n2.1.2 Internet of things \n2.1.3 Personal health records \n\n\n\n\n3 Methods \n\n3.1 Search strategy \n3.2 Study selection \n3.3 Results \n3.4 Artificial intelligence \n\n3.4.1 Clinical effects \n3.4.2 Managerial and socioeconomic effects \n\n\n3.5 Internet of things \n\n3.5.1 Clinical effects \n3.5.2 Psycho-behavioral, managerial, and socioeconomic effects \n\n\n3.6 Personal health records \n\n3.6.1 Clinical effects \n3.6.2 Psycho-behavioral, managerial, and socioeconomic effects \n\n\n\n\n4 Discussion \n5 Abbreviations, acronyms, and initialisms \n6 Acknowledgements \n\n6.1 Conflict of interest \n\n\n7 References \n8 Notes \n\n\n\nAbstract \nObjectives: Systematic evaluations of the benefits of health information technology (HIT) play an essential role in enhancing healthcare quality by improving outcomes. However, there is limited empirical evidence regarding the benefits of IT adoption in healthcare settings. This study aimed to review the benefits of artificial intelligence (AI), the internet of things (IoT), and personal health records (PHR), based on scientific evidence.\nMethods: The literature published in peer-reviewed journals between 2016 and 2022 was searched for systematic reviews and meta-analysis studies using the PubMed, Cochrane, and Embase databases. Manual searches were also performed using the reference lists of systematic reviews and eligible studies from major health informatics journals. The benefits of each HIT were assessed from multiple perspectives across four outcome domains.\nResults: Twenty-four systematic review or meta-analysis studies on AI, IoT, and PHR were identified. The benefits of each HIT were assessed and summarized from a multifaceted perspective, focusing on four outcome domains: clinical, psycho-behavioral, managerial, and socioeconomic. The benefits varied depending on the nature of each type of HIT and the diseases to which they were applied.\nConclusions: Overall, our review indicates that AI and PHR can positively impact clinical outcomes, while IoT holds potential for improving managerial efficiency. Despite ongoing research into the benefits of health IT in line with advances in healthcare, the existing evidence is limited in both volume and scope. The findings of our study can help identify areas for further investigation.\nKeywords: health informatics, artificial intelligence, internet of things, personal health records, review\n\nIntroduction \nThe healthcare sector is increasingly recognized as an industry well-suited for the future, particularly in the era of hyperconnectivity where cutting-edge information technology (IT) can be applied. However, there is limited empirical evidence regarding the benefits of IT in healthcare settings. Therefore, it is crucial to systematically evaluate the advantages of health information technology (HIT) to ensure that these efforts will help enhance the quality of healthcare by improving outcomes.\nThe present study aims to summarize several cases where IT has been applied in healthcare and to review the published systematic reviews and meta-analyses on the benefits of HIT. The scope of this review focuses on three types of HIT: artificial intelligence (AI), the internet of things (IoT), and personal health records (PHR). These were identified as priority areas of high significance and immediacy within the realm of technology development in a previous Delphi study.[1]\n\nAreas of focus in this study on HIT \nArtificial intelligence \nAI is expected not only to contribute to providing personalized healthcare based on patient-centered big data systems, but also to enable the more efficient use of medical resources. With the aging of the global population and the increasing prevalence of chronic diseases, combined with the paradigm shift toward patient-centered care, it is becoming increasingly important to predict diseases based on symptoms and risk factors and effectively manage chronic diseases. In addition, given the shift toward personalized healthcare[2], AI technologies may help predict and prevent diseases using patient-centered big data systems. This would facilitate accurate disease diagnoses and the recommendation of the most effective treatment.[3]\nSince AI is capable of automating repetitive, daily medical tasks, it has a high potential for applications in a wide range of healthcare settings, including patient and resource management. As such, this technology will be rapidly adopted in the healthcare sector and play an important role in improving managerial efficiency.[4]\n\nInternet of things \nThe use of IoT has been widely promoted in various industries, such as home appliances and automobiles. Medical devices, in particular, have been recognized as an area where IoT can be employed particularly effectively and have a greater impact on our daily lives. Its applications in the medical field are as follows[5]:\n\nHome healthcare: Monitoring using sensors (e.g., detecting falls, seizures, or the risk of pressure ulcers);\nm-Health solutions: Monitoring using various types of sensors linked to smartphones;\ne-Health: Medical services connected to the internet to perform various remote medical services (e.g., remote monitoring, remote consulting, robot-assisted surgery, etc.); and\nHospital management: Logistics supply chain management, remote patient monitoring, and drug identification monitoring.\nThe healthcare sector has been progressively incorporating IoT technology. This technology aids patients in managing their health more effectively, enables providers to improve service quality, decreases costs, and boosts the efficiency of hospital resource management. For patients, the implementation of IoT solutions can increase satisfaction and promote adherence to self-care principles, which are intended to facilitate improved self-management. For service providers, systems based on IoT technology can allow the monitoring of patients who require constant care and attention, thereby increasing the overall standard of healthcare.[6][7] Furthermore, this technology can introduce novel strategies for resource management in healthcare organizations, leading to cost reductions.[8]\n\nPersonal health records \nThe Markle Foundation\u2019s Connecting for Health[9] defines a PHR as an electronic application through which individuals can access, manage, and share their health information, and that of others for whom they are authorized, in a private, secure, and confidential environment. With the healthcare paradigm shift from diagnosis and treatment to prevention and management, the role of PHR is expected to expand to personalized health maintenance services and chronic disease management. Three general types of PHR exist: standalone PHR, electronic medical record (EMR)-tethered PHR, and interconnected PHR. OF these, the EMR-tethered PHR, which is connected with a hospital\u2019s EMR, is most widely used.\nFor this study, we first summarized HIT use, which is expected to create greater synergy with regard to prediction, diagnosis, health maintenance, and organizational management. We reviewed the benefits reported in previous studies from diverse perspectives across four outcome domains: clinical, psycho-behavioral, managerial, and socioeconomic. For the clinical domain, specific evaluation tools included patient outcomes such as detection of drug-adverse effects, mortality, length of hospital stay, readmission rates, and safety. In the psycho-behavioral domain, user acceptance and satisfaction were used as evaluation tools. The managerial domain was assessed through managerial efficiency, while the socioeconomic domain was evaluated based on cost reduction.\n\nMethods \nSearch strategy \nWe searched the PubMed, Cochrane, and Embase databases for systematic review and meta-analysis studies published in peer-reviewed journals between 2016 and 2022. The combination keywords used in searching the databases were as follows: artificial intelligence, internet of things, personal health records, patient portals, personal health, and hospitals. Fifty publications in the AI, 10 in the IoT, and 39 in the PHR were initially identified as potentially eligible studies for full-text screening. In addition, we manually searched reference lists from systematic reviews, eligible studies, and publications from major journals. The benefits of each HIT were then assessed, and the results were summarized.\n\nStudy selection \nOur search found 18 meta-analysis studies on AI, all of which discussed the clinical effectiveness of technologies in the realm of disease prediction and diagnosis. Seven of these studies[10][11][12][13][14][15] focused on tumor diagnosis, specifically of the stomach, intestine, thyroid, brain, lung, and ovary. Two studies[16][17] were centered on the diagnosis of eye diseases, namely diabetic retinopathy and retinal vascular disease. Another two studies focused on the diagnosis and prognosis of kidney disease[18][19], while one study examined the diagnosis of coronary artery disease.[20] The remaining six studies investigated heart failure[21], sepsis[22], pneumonia[23], intrapartum fetal heart rate[24], trauma[25], and mood disorders.[26] In addition to these, we found two systematic reviews that analyzed the utility of IoT. One paper explored the application of IoT solutions for health management[27], while the other assessed how IoT has enhanced the quality of services.[28] These studies evaluated the effectiveness of IoT from clinical, managerial, and socioeconomic viewpoints. We identified four systematic reviews on PHR.[29][30][31][32] The specific conditions examined in these studies included diabetes mellitus, various chronic diseases, and vaccination. Each of the four papers investigated both clinical and psycho-behavioral effectiveness.\n\nResults \nIn this section, we present findings on the benefits of AI, IoT, and PHR from clinical, psycho-behavioral, managerial, and socioeconomic perspectives. We also summarize the key findings in Table 1.\n\n\n\n\n\n\n\nTable 1. Summary of the utility of each information technology based on an analysis of the literature. SR: systematic review or meta-analysis, \u25cf: strong evidence, \u25ce: moderate evidence, \u25cb: weak or pointless evidence.\n\n\nInformation technology\n\nLiterature type\n\nUtility areas\n\nUtility assessment results\n\n\nArtificial intelligence (AI)\n\nSR\n\nClinical\n\nDiagnostic accuracy (compared with health-care professional): gastric lesion (\u25cf), retinal vessels (STRARE, CHASEDB1) (\u25cf), thyroid nodules (\u25cf), ovarian cancer (\u25ce), colon polyps (\u25cb), brain tumors (\u25cb), retinal vessels (DRIVE) (\u25cb)\r\nDiagnostic accuracy (compared with existing methods): coronary artery disease (\u25cf)\r\nConsistency in diagnosis: intrapartum fetal heart rate (\u25ce)\r\nDiagnostic efficacy: a good test with AUC of 0.83\u20130.99 in 25 areas\n\n\nRespective literature\n\nClinical\n\nPrediction of suitable treatment, side effects reduction, medical errors and costs reduction, and integration of research and practice\n\n\nManagerial\n\nReducing time required for healthcare providers to manage their repeated, daily tasks by up to 70% or minimizing time to greatest possible extent\n\n\nSocioeconomic\n\nImproving the prognosis of treatment at only half the normal cost\r\nReducing medical costs by 150 billion dollars every year until 2026 with use of AI applications\n\n\nInternet of things (IoT)\n\nSR\n\nClinical\n\nImproving overall performance of treatment by enabling patient monitoring and detection of abnormal patient behavior\n\n\nManagerial\n\nImproving workflow management of medical institutions\r\nUser preferences for IoT-based health management solutions: Response time (\u25cf), cost (\u25cf), energy consumption (\u25ce), availability (\u25cb), security (\u25cb), and throughput (\u25cb)\n\n\nRespective literature\n\nClinical\n\nHelping medical professionals better understand and interpret patient data\n\n\nPsycho-behavioral\n\nThe level of satisfaction for smart healthcare applications (3.73 points) was higher than average (3.67 points) in a survey on utility of IoT services.\r\nSmart healthcare applications with high satisfaction rating: Infant sleep monitoring, healthcare services for pregnant women, blood sugar meter, blood pressure meter, and oxygen saturation meter\n\n\nManagerial\n\nReducing patient waiting time using short-range wireless IoT-based solutions (3.5 \u00b1 5.8 minutes or more)\r\nImproving sales revenue and internal process (reducing operational costs and working hours and increasing productive capacity)\n\n\nSocioeconomic\n\nReducing medical costs and hospitalization of the elderly; Expected to have a potential economic effect amounting to 170 billion to 1 trillion and 590 billion dollars in health management and disease monitoring and management\n\n\nPersonal health record (PHR)\n\nSR\n\nClinical\n\nExpected to have potential effects on management of chronic disease (e.g., diabetes, hypertension, asthma, human immunodeficiency virus, childbirth management, glaucoma, hyperlipidemia, etc.)\n\n\nPsycho-behavioral\n\nPromoting changes in preventive management behavior: increasing patient knowledge, reducing decision-making conflicts, improving compliance with medication and checkups, etc.\n\n\nRespective literature\n\nClinical\n\nReduced readmission rates reported in some studies\n\n\nPsycho-behavioral\n\nHelping patients better memorize their doctors\u2019 names and recognize their roles, increasing patient participation in seeking health information, and improving patient compliance with treatment\/medication\n\n\nManagerial\n\nReducing patient no-show rates by 53% with the adoption of a mandatory electronic record-centered patient portal\n\n\nSocioeconomic\n\n48% of the respondents said that they used medical services less frequently since adoption of mandatory electronic record-centered patient portal.\r\nPatient portal users visited doctors\u2019 offices outside of working hours and used telephone consultation more frequently than control group.\n\n\n\nArtificial intelligence \nClinical effects \nAccuracy of disease diagnosis\nThe diagnostic performance of AI, in comparison to healthcare professionals and existing diagnostic methods, is summarized below. In seven out of 12 areas, AI diagnosis demonstrated superior diagnostic accuracy to the existing methods (Table 2). The diagnostic accuracy of AI was compared to that of healthcare professionals in 10 areas. In six of these areas\u2014gastric lesions, retinal vessels (STRARE, CHASEDB1 dataset), and thyroid nodules\u2014AI showed higher diagnostic accuracy. For ovarian cancer, the diagnostic accuracy of AI was comparable. However, in the remaining three areas\u2014colon polyps, brain tumors, and retinal vessels (DRIVE dataset)\u2014no significant difference in accuracy was observed. One study that compared the diagnostic accuracy of AI with existing methods for coronary artery diseases found the AI-based method to be more effective in diagnosing the disease.[20] Another study that examined the degree of inter-rater reliability between human and AI interpretation of intrapartum fetal heart rate found a moderate level of agreement.[24]\n\n\n\n\n\n\n\nTable 2. Clinical effects of AI technology compared to existing diagnostic methods (based on a review of meta-analysis studies). \u25cf: high, \u25ce: intermediate, \u25cb: no difference.\n\n\nStudy, year\n\nTarget disease\n\nDiagnostic accuracy\n\nConsistency in diagnosis\n\nCompared to\n\n\nLui et al. 2020[10]\n\nGastric lesions\n\n\u25cf\n\n\n\nMedical staff\n\n\nBarrett\u2019s esophagus\n\n\u25cf\n\n\n\n\nPresence of Helicobacter pylori\n\n\u25cf\n\n\n\n\nLui et al. 2020[11]\n\nColon polyps\n\n\u25cb\n\n\n\nMedical staff\n\n\nZhao et al. 2009[12]\n\nThyroid nodules\n\n\u25cf\n\n\n\nMedical staff\n\n\nNguyen et al. 2018[13]\n\nBrain lesions\n\n\u25cb\n\n\n\nMedical staff\n\n\nXu et al. 2022[15]\n\nOvarian cancer\n\n\u25ce\n\n\n\nMedical staff\n\n\nIslam et al. 2020 [16]\n\nRetinal vessels (DRIVE dataset)\n\n\u25cb\n\n\n\nMedical staff\n\n\nRetinal vessels (STARE dataset)\n\n\u25cf\n\n\n\n\nRetinal vessels (CHASEDB1 dataset)\n\n\u25cf\n\n\n\n\nTang et al. 2019[20]\n\nCoronary artery disease (per patient and per blood vessel)\n\n\u25cf\n\n\n\nExisting methods\n\n\nBalayla and Shrem 2019[24]\n\nIntrapartum fetal heart rate\n\n\n\n\u25ce\n\nMedical staff\n\n\n\nDiagnostic efficacy\nThe efficacy of a diagnostic test can be assessed using receiver operating characteristic curves and the area under the curve (AUC), which are based on the test\u2019s sensitivity and specificity. In 18 meta-analysis studies on AI, the diagnostic efficacy was evaluated across 25 areas using the AUC. The results indicated that the diagnostic efficacy was good, with scores ranging from 0.83 to 0.99.[10][11][12][14][15][16][18][19][20][21][23][25]\nTreatment prediction and reduction of side effects and medical errors\nThe application of AI to clinical practice can help identify appropriate treatment options; reduce side effects, medical errors, and costs; and support the further integration of research and practice.[33] AI allows us to explore and identify new genotypes and phenotypes of existing diseases, thus helping to improve the quality of patient care.[34] One study reported that AI was capable of predicting the onset of acute kidney injury in a hospitalized patient 48 hours before it actually occurred, thereby enabling early treatment.[35]\n\nManagerial and socioeconomic effects \nAccording to a 2020 report by the McKinsey Global Institute[36], AI helps improve operational efficiency in healthcare by reducing the time providers spend on routine and administrative tasks by up to 70%. Additionally, AI usage can help decrease medical costs, as it has been shown to improve the treatment prognosis by approximately 50% at half the cost.[33] Another report suggests that the use of AI applications in healthcare could result in annual savings of $150 billion in the United States by 2026.[37]\n\nInternet of things \nClinical effects \nReal-time patient monitoring\nIoT-based medical technology can be used anywhere in the world to implement real-time patient monitoring and to detect any abnormal or potentially harmful patient behavior. This has the potential to improve the overall effectiveness of patient treatment.[38] Furthermore, physical activity data gathered from patients via a range of sensors can be transformed into visual representations such as abstract art displays, charts, and graphs using IoT solutions. This allows healthcare professionals to comprehend and interpret patient data in a more rapid and intuitive manner.[39] For instance, IoT solutions can be used to visually represent the severity of tremors in patients with Parkinson\u2019s disease.\n\n Psycho-behavioral, managerial, and socioeconomic effects \nPerceived usefulness of smart healthcare applications\nOut of 12 smart healthcare applications, users rated the following solutions as particularly beneficial: the integration of smart health technology with smart-care technology, smart healthcare for disease prevention and management, smart healthcare for health management, the combination of smart home and smart healthcare systems, and remote monitoring through smart healthcare (3.73 points, compared to an average of 3.67 points).[40]\nImproved workflow and cost reduction\nThe healthcare sector primarily utilizes IoT for managing lifestyle diseases, monitoring patients with chronic conditions at home, and providing home monitoring and security through remote mobile medical services. Numerous studies have highlighted the benefits of IoT, including rapid response times, cost reduction, and low energy consumption. However, some studies have indicated that it is somewhat less effective in terms of availability, throughput, and security[41] (Table 3). IoT facilitates more efficient and effective communication between different sectors, enabling the exchange of information between objects, smart authentication, location identification, and efficient monitoring and tracking. This results in a variety of benefits, such as reducing healthcare expenditures and hospitalizations for elderly patients.[42]\n\n\n\n\n\n\n\nTable 3. Utility of Internet of Things solutions in organizational management (based on the results of systematic reviews). \u25cf: 2\/3 or more of the studied papers, \u25ce: 1\/3\u20132\/3 of the studied papers, \u25cb: 1\/3 or less of the studied papers.\n\n\nAvailability\n\nResponse time\n\nEnergy consumption\n\nCost\n\nSecurity\n\nThroughput\n\n\n\u25cb\n\n\u25cf\n\n\u25ce\n\n\u25cf\n\n\u25cb\n\n\u25cb\n\n\n\nReduced waiting time by improving the hospital\u2019s internal process\nIoT will help improve the workflow in hospitals.[27] In general hospitals, the average waiting time is approximately 32.3 \u00b1 27.7 minutes. A simulation study demonstrated that implementing a short-range wireless IoT-based medical reception system could decrease this waiting time by 3.5 \u00b1 5.8 minutes in a typical hospital environment.[28]\nPotential socioeconomic effects\nA report from the McKinsey Global Institute suggests that by 2025, IoT could generate an annual economic benefit ranging from US $3.9 to $11 trillion. Within this, the impact on health management, as well as disease monitoring and management, could range from US $170 billion to $1.59 trillion per year.[43]\n\nPersonal health records \nClinical effects \nPrevention and management of chronic diseases\nA study that reviewed 23 previous studies, including seven randomized controlled trials (RCTs), examined the effects of the PHR. The study concluded that the PHR could potentially be effective in managing and preventing chronic diseases such as diabetes, hypertension, asthma, HIV, glaucoma, and hyperlipidemia, as well as managing childbirth.[29] All these diseases and conditions share a common characteristic, namely that they are chronic conditions where self-management through behavior change is crucial. PHR technology allows healthcare providers to record, monitor, and track their patients\u2019 vital signs, such as blood pressure, body temperature, and blood glucose levels. This technology also enables providers to give timely feedback, creating a virtuous cycle in chronic disease management. Han et al.[30] reviewed 24 studies, including 10 RCTs, which examined the effects of patient portal interventions on clinical outcomes. The study concluded that while the patient portal was effective for weight loss and blood glucose management, it was less effective for blood pressure and cholesterol control (Table 4).\n\n\n\n\n\n\n\nTable 4. Utility of personal health record technology for chronic disease management (based on the results of systematic reviews). \u25cf: 2\/3 or more of the studied papers, \u25ce: 1\/3\u20132\/3 of the studied papers, \u25cb: 1\/3 or less of the studied papers.\n\n\nBlood pressure management\n\nBlood glucose control\n\nCholesterol control\n\nWeight loss\n\n\n\u25cb\n\n\u25ce\n\n\u25cb\n\n\u25cf\n\n\n\nAlthough some research suggests that PHR can improve diabetes management and boost vaccination rates, the evidence supporting these claims is either inconsistent or weak. Coughlin et al.[31] carried out a systematic review of 12 prior studies, five of which were RCTs, to investigate the impact of a patient web portal on diabetes treatment. The study concluded that secure messaging between healthcare providers and patients contributed to better blood glucose control. Some research indicated that PHR increased vaccination rates for influenza and pneumonia, as well as mandatory infant vaccinations. However, the strength of this evidence was questionable, as many of the studies included in the review were retrospective observational studies and the effect size was only moderate.[32]\nReduced mortality and readmission rates\nStudies examining the effect of PHRs on patients\u2019 mortality and readmission rates have reported mixed findings. A three-arm RCT conducted at a teaching hospital investigated the effect of an inpatient portal intervention. The study found that the inpatient portal group showed a lower 30-day readmission rate than both the control group and the tablet PC group.[44] Another retrospective observational study, however, found no significant difference in the 30-day readmission rate, in-hospital mortality, or 30-day mortality between the inpatient portal group and the control group.[45]\n\n Psycho-behavioral, managerial, and socioeconomic effects \nPsycho-behavioral changes of users\nSystematic reviews have reported relatively strong evidence that the use of patient portals was effective in improving patients\u2019 health knowledge, decision-making, medication adherence, and use of preventive services.[30]\nPatient perceptions of medical personnel and compliance with treatment\nStudies have investigated the effects of patient portals on patients\u2019 perceptions of healthcare professionals and health information, with mixed results. A controlled study examined the effect of tablet PCs equipped with a hospitalized patient portal application on patient engagement and health knowledge. The study found that the tablet PC intervention was more effective in helping patients remember their doctors\u2019 names and understand their roles compared to the control group. However, there were no significant differences between the groups in terms of patient engagement, awareness of their nurse\u2019s name, understanding of planned tests and treatments, or recognition of medication changes.[46] A three-arm RCT was conducted at a training hospital in New York to assess the impact of an inpatient portal intervention.[44] Although there was no difference in patient engagement between the intervention group and both the control and tablet PC groups, the level of patient interaction with health information was higher in the intervention group than in the other two groups.\nNumerous studies have reported that patient portals were highly effective in enhancing patient adherence to treatment. One RCT conducted in a specialty clinic for heart failure patients found that the group using the patient portal showed superior treatment compliance compared to the control group, although they also had more visits to the emergency department.[47] Another RCT, which evaluated the impact of a patient portal on antidepressant treatment for depression, found that the intervention group demonstrated higher rates of adherence to antidepressant medication than the control group.[48]\nImproved managerial efficiency\nA survey conducted in Canada involving 957 patient portal users revealed that 48% of respondents avoided visiting doctors\u2019 offices, while 2.7% avoided emergency department visits.[49] Furthermore, an analysis of healthcare utilization demonstrated a 53% decrease in no-show rates among patient portal users. However, a retrospective cohort study by Kaiser Permanente on patient portal users indicated an increase in clinic visits, after-hour clinic visits, telephone encounters, emergency department encounters, and hospitalizations.[50] In a separate RCT assessing the impact of a patient portal on patients with depression, there was no discernible difference in outpatient visits and telephone encounters between the patient portal group and the control group.[48]\n\nDiscussion \nThe present study reviewed the benefits of AI, IoT, and PHR from clinical, psycho-behavioral, managerial, and socioeconomic perspectives, summarizing the key findings. The benefits observed varied based on the type of IT utilized and the specific disease in question. Our review indicates that AI and PHRs can enhance clinical outcomes, while IoT holds promise for boosting managerial efficiency. However, given the limited scope and scale of prior studies, further research is warranted.\nThe data models, having been trained and verified on public datasets, should be continually trained, verified, and improved using actual data gathered from a variety of patients in real hospital environments.[51][52] Further investigation is warranted into the organizational and socioeconomic benefits of PHR. For instance, one could argue that PHR use will yield socioeconomic benefits, as they could potentially improve the efficiency of organizational management through the enhancement of patient treatment processes.\nThe financial stability of health insurance can also be strengthened by managing chronic diseases more effectively and efficiently[53], as well as by reducing redundant tests and prescriptions. Theories lacking sufficient evidence cannot adequately facilitate widespread PHR adoption, indicating a need for further research on these topics. The application of IoT in the health and medical industry is not as prevalent as in other industrial sectors. Therefore, additional research is necessary to accurately assess the impact of IoT. In the future, smart healthcare services are anticipated to become more affordable[54], which will enhance customer access to these services and significantly foster the growth of the IoT-based healthcare industry.\nThe findings from this review should be interpreted with caution due to several limitations. First, it is possible that we may have missed relevant articles in the current review that were not found through our search strategy. In addition, since we did not include gray literature, publication bias may exist. We included only articles written in Korean and English; hence, the findings cannot be generalized to studies published in non-English and non-Korean languages. Finally, most of the studies included in this review were conducted in North America, which limits the generalizability of the results.\nThis review has several implications for future research. As IT advances and is increasingly used in healthcare, more research on the benefits of HIT has been conducted. However, these studies have been limited to specific diseases and datasets, and thus there is a need to further expand the scope of research. For example, the scope of AI research is primarily limited to specific diseases, and most studies have been conducted using images from specific public datasets. With the increase in chronic and infectious diseases, it is necessary to continue research on developing algorithms for the prediction and diagnosis of these diseases. The findings of the present study will help identify areas of research that warrant further investigation.\n\n Abbreviations, acronyms, and initialisms \nAI: artificial intelligence\nAUC: area under the curve\nEMR: electronic medical record\nHIT: health information technology\nIoT: internet of things\nIT: information technology\nPHR: personal health record\nRCT: randomized controlled trial\nAcknowledgements \nThis research is partly based on the KOSMI Issue Report (2020), which was supported by the Ministry of Health and Welfare, Republic of Korea. Mihui Kim received a scholarship from the Brain Korea 21 FOUR Project funded by the National Research Foundation (NRF) of Korea, Yonsei University College of Nursing.\n\nConflict of interest \nHyejung Chang and Mona Choi are editorial members of Healthcare Informatics Research; however, they were not involved in the peer reviewer selection, evaluation, and decision process of this article. 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In some cases important information was missing from the references, and that information was added.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\">https:\/\/www.limswiki.org\/index.php\/Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on artificial intelligenceLIMSwiki journal articles on health informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 26 December 2023, at 20:32.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 112 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","a6564f37a9f33293ed1e7c891432fbfe_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Benefits_of_information_technology_in_healthcare_Artificial_intelligence_internet_of_things_and_personal_health_records rootpage-Journal_Benefits_of_information_technology_in_healthcare_Artificial_intelligence_internet_of_things_and_personal_health_records skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Benefits of information technology in healthcare: Artificial intelligence, internet of things, and personal health records<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><b>Objectives<\/b>: Systematic evaluations of the benefits of <a href=\"https:\/\/www.limswiki.org\/index.php\/Health_information_technology\" title=\"Health information technology\" class=\"wiki-link\" data-key=\"9c8ef822470559f757db89f3fa234cc0\">health information technology<\/a> (HIT) play an essential role in enhancing healthcare <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> by improving outcomes. However, there is limited empirical evidence regarding the benefits of IT adoption in healthcare settings. This study aimed to review the benefits of <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">artificial intelligence<\/a> (AI), the <a href=\"https:\/\/www.limswiki.org\/index.php\/Internet_of_things\" title=\"Internet of things\" class=\"wiki-link\" data-key=\"13e0b826fa1770fe4bea72e3cb942f0f\">internet of things<\/a> (IoT), and <a href=\"https:\/\/www.limswiki.org\/index.php\/Personal_health_record\" title=\"Personal health record\" class=\"wiki-link\" data-key=\"f79b1a737e567e2fcb4eb85a4835d853\">personal health records<\/a> (PHR), based on scientific evidence.\n<\/p><p><b>Methods<\/b>: The literature published in peer-reviewed journals between 2016 and 2022 was searched for systematic reviews and meta-analysis studies using the PubMed, Cochrane, and Embase databases. Manual searches were also performed using the reference lists of systematic reviews and eligible studies from major <a href=\"https:\/\/www.limswiki.org\/index.php\/Health_informatics\" title=\"Health informatics\" class=\"wiki-link\" data-key=\"055eb51f53cfdbacc08ed150b266c9f4\">health informatics<\/a> journals. The benefits of each HIT were assessed from multiple perspectives across four outcome domains.\n<\/p><p><b>Results<\/b>: Twenty-four systematic review or meta-analysis studies on AI, IoT, and PHR were identified. The benefits of each HIT were assessed and summarized from a multifaceted perspective, focusing on four outcome domains: clinical, psycho-behavioral, managerial, and socioeconomic. The benefits varied depending on the nature of each type of HIT and the diseases to which they were applied.\n<\/p><p><b>Conclusions<\/b>: Overall, our review indicates that AI and PHR can positively impact clinical outcomes, while IoT holds potential for improving managerial efficiency. Despite ongoing research into the benefits of health IT in line with advances in healthcare, the existing evidence is limited in both volume and scope. The findings of our study can help identify areas for further investigation.\n<\/p><p><b>Keywords<\/b>: health informatics, artificial intelligence, internet of things, personal health records, review\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p>The <a href=\"https:\/\/www.limswiki.org\/index.php\/Health_care\" title=\"Health care\" class=\"wiki-link\" data-key=\"f0b4d077e72058316d47c8a2c93c7911\">healthcare<\/a> sector is increasingly recognized as an industry well-suited for the future, particularly in the era of hyperconnectivity where cutting-edge information technology (IT) can be applied. However, there is limited empirical evidence regarding the benefits of IT in healthcare settings. Therefore, it is crucial to systematically evaluate the advantages of <a href=\"https:\/\/www.limswiki.org\/index.php\/Health_information_technology\" title=\"Health information technology\" class=\"wiki-link\" data-key=\"9c8ef822470559f757db89f3fa234cc0\">health information technology<\/a> (HIT) to ensure that these efforts will help enhance the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> of healthcare by improving outcomes.\n<\/p><p>The present study aims to summarize several cases where IT has been applied in healthcare and to review the published systematic reviews and meta-analyses on the benefits of HIT. The scope of this review focuses on three types of HIT: <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_intelligence\" title=\"Artificial intelligence\" class=\"wiki-link\" data-key=\"0c45a597361ca47e1cd8112af676276e\">artificial intelligence<\/a> (AI), the <a href=\"https:\/\/www.limswiki.org\/index.php\/Internet_of_things\" title=\"Internet of things\" class=\"wiki-link\" data-key=\"13e0b826fa1770fe4bea72e3cb942f0f\">internet of things<\/a> (IoT), and <a href=\"https:\/\/www.limswiki.org\/index.php\/Personal_health_record\" title=\"Personal health record\" class=\"wiki-link\" data-key=\"f79b1a737e567e2fcb4eb85a4835d853\">personal health records<\/a> (PHR). These were identified as priority areas of high significance and immediacy within the realm of technology development in a previous Delphi study.<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Areas_of_focus_in_this_study_on_HIT\">Areas of focus in this study on HIT<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Artificial_intelligence\">Artificial intelligence<\/span><\/h4>\n<p>AI is expected not only to contribute to providing personalized healthcare based on patient-centered big data systems, but also to enable the more efficient use of medical resources. With the aging of the global population and the increasing prevalence of chronic diseases, combined with the paradigm shift toward patient-centered care, it is becoming increasingly important to <a href=\"https:\/\/www.limswiki.org\/index.php\/Disease_informatics\" class=\"mw-redirect wiki-link\" title=\"Disease informatics\" data-key=\"00b8a7358accbf79d1bc01d36f95a1fb\">predict diseases<\/a> based on symptoms and risk factors and effectively manage chronic diseases. In addition, given the shift toward personalized healthcare<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup>, AI technologies may help predict and prevent diseases using patient-centered big data systems. This would facilitate accurate disease diagnoses and the recommendation of the most effective treatment.<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup>\n<\/p><p>Since AI is capable of automating repetitive, daily medical tasks, it has a high potential for applications in a wide range of healthcare settings, including patient and resource management. As such, this technology will be rapidly adopted in the healthcare sector and play an important role in improving managerial efficiency.<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Internet_of_things\">Internet of things<\/span><\/h4>\n<p>The use of IoT has been widely promoted in various industries, such as home appliances and automobiles. <a href=\"https:\/\/www.limswiki.org\/index.php\/Medical_device\" title=\"Medical device\" class=\"wiki-link\" data-key=\"8e821122daa731f0fa8782fae57831fa\">Medical devices<\/a>, in particular, have been recognized as an area where IoT can be employed particularly effectively and have a greater impact on our daily lives. Its applications in the medical field are as follows<sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup>:\n<\/p>\n<ul><li>Home healthcare: Monitoring using sensors (e.g., detecting falls, seizures, or the risk of pressure ulcers);<\/li>\n<li><a href=\"https:\/\/www.limswiki.org\/index.php\/MHealth\" title=\"MHealth\" class=\"wiki-link\" data-key=\"42415d515f590babb6158dc02b7b3f0a\">m-Health<\/a> solutions: Monitoring using various types of sensors linked to smartphones;<\/li>\n<li><a href=\"https:\/\/www.limswiki.org\/index.php\/EHealth\" title=\"EHealth\" class=\"wiki-link\" data-key=\"39df6aac1fbe4ad737280794f3a81d80\">e-Health<\/a>: Medical services connected to the internet to perform various remote medical services (e.g., remote monitoring, remote consulting, <a href=\"https:\/\/www.limswiki.org\/index.php\/Robot-assisted_surgery\" title=\"Robot-assisted surgery\" class=\"wiki-link\" data-key=\"7be8ae6a8cc61a682af74f5c8f893873\">robot-assisted surgery<\/a>, etc.); and<\/li>\n<li><a href=\"https:\/\/www.limswiki.org\/index.php\/Hospital\" title=\"Hospital\" class=\"wiki-link\" data-key=\"b8f070c66d8123fe91063594befebdff\">Hospital<\/a> management: Logistics supply chain management, remote patient monitoring, and drug identification monitoring.<\/li><\/ul>\n<p>The healthcare sector has been progressively incorporating IoT technology. This technology aids patients in managing their health more effectively, enables providers to improve service quality, decreases costs, and boosts the efficiency of hospital resource management. For patients, the implementation of IoT solutions can increase satisfaction and promote adherence to self-care principles, which are intended to facilitate improved self-management. For service providers, systems based on IoT technology can allow the monitoring of patients who require constant care and attention, thereby increasing the overall standard of healthcare.<sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> Furthermore, this technology can introduce novel strategies for resource management in healthcare organizations, leading to cost reductions.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Personal_health_records\">Personal health records<\/span><\/h4>\n<p>The Markle Foundation\u2019s Connecting for Health<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup> defines a PHR as an electronic application through which individuals can access, <a href=\"https:\/\/www.limswiki.org\/index.php\/Information_management\" title=\"Information management\" class=\"wiki-link\" data-key=\"f8672d270c0750a858ed940158ca0a73\">manage<\/a>, and share their health information, and that of others for whom they are authorized, in a private, secure, and confidential environment. With the healthcare paradigm shift from diagnosis and treatment to prevention and management, the role of PHR is expected to expand to personalized health maintenance services and chronic disease management. Three general types of PHR exist: standalone PHR, <a href=\"https:\/\/www.limswiki.org\/index.php\/Electronic_medical_record\" title=\"Electronic medical record\" class=\"wiki-link\" data-key=\"99a695d2af23397807da0537d29d0be7\">electronic medical record<\/a> (EMR)-tethered PHR, and interconnected PHR. OF these, the EMR-tethered PHR, which is connected with a hospital\u2019s EMR, is most widely used.\n<\/p><p>For this study, we first summarized HIT use, which is expected to create greater synergy with regard to prediction, diagnosis, health maintenance, and organizational management. We reviewed the benefits reported in previous studies from diverse perspectives across four outcome domains: clinical, psycho-behavioral, managerial, and socioeconomic. For the clinical domain, specific evaluation tools included patient outcomes such as detection of drug-adverse effects, mortality, length of hospital stay, readmission rates, and safety. In the psycho-behavioral domain, user acceptance and satisfaction were used as evaluation tools. The managerial domain was assessed through managerial efficiency, while the socioeconomic domain was evaluated based on cost reduction.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Methods\">Methods<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Search_strategy\">Search strategy<\/span><\/h3>\n<p>We searched the PubMed, Cochrane, and Embase databases for systematic review and meta-analysis studies published in peer-reviewed journals between 2016 and 2022. The combination keywords used in searching the databases were as follows: artificial intelligence, internet of things, personal health records, <a href=\"https:\/\/www.limswiki.org\/index.php\/Patient_portal\" title=\"Patient portal\" class=\"wiki-link\" data-key=\"6584bd42fcd39c8cbacbdba77d540eb2\">patient portals<\/a>, personal health, and hospitals. Fifty publications in the AI, 10 in the IoT, and 39 in the PHR were initially identified as potentially eligible studies for full-text screening. In addition, we manually searched reference lists from systematic reviews, eligible studies, and publications from major journals. The benefits of each HIT were then assessed, and the results were summarized.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Study_selection\">Study selection<\/span><\/h3>\n<p>Our search found 18 meta-analysis studies on AI, all of which discussed the clinical effectiveness of technologies in the realm of disease prediction and diagnosis. Seven of these studies<sup id=\"rdp-ebb-cite_ref-:0_10-0\" class=\"reference\"><a href=\"#cite_note-:0-10\">[10]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:1_11-0\" class=\"reference\"><a href=\"#cite_note-:1-11\">[11]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_12-0\" class=\"reference\"><a href=\"#cite_note-:2-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_13-0\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:4_14-0\" class=\"reference\"><a href=\"#cite_note-:4-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_15-0\" class=\"reference\"><a href=\"#cite_note-:5-15\">[15]<\/a><\/sup> focused on tumor diagnosis, specifically of the stomach, intestine, thyroid, brain, lung, and ovary. Two studies<sup id=\"rdp-ebb-cite_ref-:6_16-0\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> were centered on the diagnosis of eye diseases, namely diabetic retinopathy and retinal vascular disease. Another two studies focused on the diagnosis and prognosis of kidney disease<sup id=\"rdp-ebb-cite_ref-:7_18-0\" class=\"reference\"><a href=\"#cite_note-:7-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:8_19-0\" class=\"reference\"><a href=\"#cite_note-:8-19\">[19]<\/a><\/sup>, while one study examined the diagnosis of coronary artery disease.<sup id=\"rdp-ebb-cite_ref-:9_20-0\" class=\"reference\"><a href=\"#cite_note-:9-20\">[20]<\/a><\/sup> The remaining six studies investigated heart failure<sup id=\"rdp-ebb-cite_ref-:10_21-0\" class=\"reference\"><a href=\"#cite_note-:10-21\">[21]<\/a><\/sup>, sepsis<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup>, pneumonia<sup id=\"rdp-ebb-cite_ref-:11_23-0\" class=\"reference\"><a href=\"#cite_note-:11-23\">[23]<\/a><\/sup>, intrapartum fetal heart rate<sup id=\"rdp-ebb-cite_ref-:12_24-0\" class=\"reference\"><a href=\"#cite_note-:12-24\">[24]<\/a><\/sup>, trauma<sup id=\"rdp-ebb-cite_ref-:13_25-0\" class=\"reference\"><a href=\"#cite_note-:13-25\">[25]<\/a><\/sup>, and mood disorders.<sup id=\"rdp-ebb-cite_ref-26\" class=\"reference\"><a href=\"#cite_note-26\">[26]<\/a><\/sup> In addition to these, we found two systematic reviews that analyzed the utility of IoT. One paper explored the application of IoT solutions for health management<sup id=\"rdp-ebb-cite_ref-:14_27-0\" class=\"reference\"><a href=\"#cite_note-:14-27\">[27]<\/a><\/sup>, while the other assessed how IoT has enhanced the quality of services.<sup id=\"rdp-ebb-cite_ref-:15_28-0\" class=\"reference\"><a href=\"#cite_note-:15-28\">[28]<\/a><\/sup> These studies evaluated the effectiveness of IoT from clinical, managerial, and socioeconomic viewpoints. We identified four systematic reviews on PHR.<sup id=\"rdp-ebb-cite_ref-:16_29-0\" class=\"reference\"><a href=\"#cite_note-:16-29\">[29]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:17_30-0\" class=\"reference\"><a href=\"#cite_note-:17-30\">[30]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:18_31-0\" class=\"reference\"><a href=\"#cite_note-:18-31\">[31]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:19_32-0\" class=\"reference\"><a href=\"#cite_note-:19-32\">[32]<\/a><\/sup> The specific conditions examined in these studies included diabetes mellitus, various chronic diseases, and vaccination. Each of the four papers investigated both clinical and psycho-behavioral effectiveness.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h3>\n<p>In this section, we present findings on the benefits of AI, IoT, and PHR from clinical, psycho-behavioral, managerial, and socioeconomic perspectives. We also summarize the key findings in Table 1.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Summary of the utility of each information technology based on an analysis of the literature. SR: systematic review or meta-analysis, \u25cf: strong evidence, \u25ce: moderate evidence, \u25cb: weak or pointless evidence.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Information technology\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Literature type\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Utility areas\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Utility assessment results\n<\/th><\/tr>\n<tr>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Artificial intelligence (AI)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SR\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Diagnostic accuracy (compared with health-care professional): gastric lesion (\u25cf), retinal vessels (STRARE, CHASEDB1) (\u25cf), thyroid nodules (\u25cf), ovarian cancer (\u25ce), colon polyps (\u25cb), brain tumors (\u25cb), retinal vessels (DRIVE) (\u25cb)<br \/>Diagnostic accuracy (compared with existing methods): coronary artery disease (\u25cf)<br \/>Consistency in diagnosis: intrapartum fetal heart rate (\u25ce)<br \/>Diagnostic efficacy: a good test with AUC of 0.83\u20130.99 in 25 areas\n<\/td><\/tr>\n<tr>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Respective literature\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Prediction of suitable treatment, side effects reduction, medical errors and costs reduction, and integration of research and practice\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Managerial\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reducing time required for healthcare providers to manage their repeated, daily tasks by up to 70% or minimizing time to greatest possible extent\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Socioeconomic\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Improving the prognosis of treatment at only half the normal cost<br \/>Reducing medical costs by 150 billion dollars every year until 2026 with use of AI applications\n<\/td><\/tr>\n<tr>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Internet of things (IoT)\n<\/td>\n<td rowspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">SR\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Improving overall performance of treatment by enabling patient monitoring and detection of abnormal patient behavior\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Managerial\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Improving workflow management of medical institutions<br \/>User preferences for IoT-based health management solutions: Response time (\u25cf), cost (\u25cf), energy consumption (\u25ce), availability (\u25cb), security (\u25cb), and throughput (\u25cb)\n<\/td><\/tr>\n<tr>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Respective literature\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Helping medical professionals better understand and interpret patient data\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Psycho-behavioral\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The level of satisfaction for smart healthcare applications (3.73 points) was higher than average (3.67 points) in a survey on utility of IoT services.<br \/>Smart healthcare applications with high satisfaction rating: Infant sleep monitoring, healthcare services for pregnant women, blood sugar meter, blood pressure meter, and oxygen saturation meter\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Managerial\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reducing patient waiting time using short-range wireless IoT-based solutions (3.5 \u00b1 5.8 minutes or more)<br \/>Improving sales revenue and internal process (reducing operational costs and working hours and increasing productive capacity)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Socioeconomic\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reducing medical costs and hospitalization of the elderly; Expected to have a potential economic effect amounting to 170 billion to 1 trillion and 590 billion dollars in health management and disease monitoring and management\n<\/td><\/tr>\n<tr>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Personal health record (PHR)\n<\/td>\n<td rowspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">SR\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Expected to have potential effects on management of chronic disease (e.g., diabetes, hypertension, asthma, human immunodeficiency virus, childbirth management, glaucoma, hyperlipidemia, etc.)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Psycho-behavioral\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Promoting changes in preventive management behavior: increasing patient knowledge, reducing decision-making conflicts, improving compliance with medication and checkups, etc.\n<\/td><\/tr>\n<tr>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Respective literature\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Clinical\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reduced readmission rates reported in some studies\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Psycho-behavioral\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Helping patients better memorize their doctors\u2019 names and recognize their roles, increasing patient participation in seeking health information, and improving patient compliance with treatment\/medication\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Managerial\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Reducing patient no-show rates by 53% with the adoption of a mandatory electronic record-centered patient portal\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Socioeconomic\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">48% of the respondents said that they used medical services less frequently since adoption of mandatory electronic record-centered patient portal.<br \/>Patient portal users visited doctors\u2019 offices outside of working hours and used telephone consultation more frequently than control group.\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Artificial_intelligence_2\">Artificial intelligence<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Clinical_effects\">Clinical effects<\/span><\/h4>\n<p><b>Accuracy of disease diagnosis<\/b>\n<\/p><p>The diagnostic performance of AI, in comparison to healthcare professionals and existing diagnostic methods, is summarized below. In seven out of 12 areas, AI diagnosis demonstrated superior diagnostic accuracy to the existing methods (Table 2). The diagnostic accuracy of AI was compared to that of healthcare professionals in 10 areas. In six of these areas\u2014gastric lesions, retinal vessels (STRARE, CHASEDB1 dataset), and thyroid nodules\u2014AI showed higher diagnostic accuracy. For ovarian cancer, the diagnostic accuracy of AI was comparable. However, in the remaining three areas\u2014colon polyps, brain tumors, and retinal vessels (DRIVE dataset)\u2014no significant difference in accuracy was observed. One study that compared the diagnostic accuracy of AI with existing methods for coronary artery diseases found the AI-based method to be more effective in diagnosing the disease.<sup id=\"rdp-ebb-cite_ref-:9_20-1\" class=\"reference\"><a href=\"#cite_note-:9-20\">[20]<\/a><\/sup> Another study that examined the degree of inter-rater reliability between human and AI interpretation of intrapartum fetal heart rate found a moderate level of agreement.<sup id=\"rdp-ebb-cite_ref-:12_24-1\" class=\"reference\"><a href=\"#cite_note-:12-24\">[24]<\/a><\/sup>\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"5\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Clinical effects of AI technology compared to existing diagnostic methods (based on a review of meta-analysis studies). \u25cf: high, \u25ce: intermediate, \u25cb: no difference.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Study, year\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Target disease\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Diagnostic accuracy\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Consistency in diagnosis\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Compared to\n<\/th><\/tr>\n<tr>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Lui <i>et al.<\/i> 2020<sup id=\"rdp-ebb-cite_ref-:0_10-1\" class=\"reference\"><a href=\"#cite_note-:0-10\">[10]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Gastric lesions\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Barrett\u2019s esophagus\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Presence of <i>Helicobacter pylori<\/i>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Lui <i>et al.<\/i> 2020<sup id=\"rdp-ebb-cite_ref-:1_11-1\" class=\"reference\"><a href=\"#cite_note-:1-11\">[11]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Colon polyps\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Zhao <i>et al.<\/i> 2009<sup id=\"rdp-ebb-cite_ref-:2_12-1\" class=\"reference\"><a href=\"#cite_note-:2-12\">[12]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Thyroid nodules\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Nguyen <i>et al.<\/i> 2018<sup id=\"rdp-ebb-cite_ref-:3_13-1\" class=\"reference\"><a href=\"#cite_note-:3-13\">[13]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Brain lesions\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Xu <i>et al.<\/i> 2022<sup id=\"rdp-ebb-cite_ref-:5_15-1\" class=\"reference\"><a href=\"#cite_note-:5-15\">[15]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Ovarian cancer\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25ce\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Islam <i>et al.<\/i> 2020 <sup id=\"rdp-ebb-cite_ref-:6_16-1\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Retinal vessels (DRIVE dataset)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td rowspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Retinal vessels (STARE dataset)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Retinal vessels (CHASEDB1 dataset)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Tang <i>et al.<\/i> 2019<sup id=\"rdp-ebb-cite_ref-:9_20-2\" class=\"reference\"><a href=\"#cite_note-:9-20\">[20]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Coronary artery disease (per patient and per blood vessel)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Existing methods\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Balayla and Shrem 2019<sup id=\"rdp-ebb-cite_ref-:12_24-2\" class=\"reference\"><a href=\"#cite_note-:12-24\">[24]<\/a><\/sup>\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Intrapartum fetal heart rate\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25ce\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical staff\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><b>Diagnostic efficacy<\/b>\n<\/p><p>The efficacy of a diagnostic test can be assessed using receiver operating characteristic curves and the area under the curve (AUC), which are based on the test\u2019s sensitivity and specificity. In 18 meta-analysis studies on AI, the diagnostic efficacy was evaluated across 25 areas using the AUC. The results indicated that the diagnostic efficacy was good, with scores ranging from 0.83 to 0.99.<sup id=\"rdp-ebb-cite_ref-:0_10-2\" class=\"reference\"><a href=\"#cite_note-:0-10\">[10]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:1_11-2\" class=\"reference\"><a href=\"#cite_note-:1-11\">[11]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_12-2\" class=\"reference\"><a href=\"#cite_note-:2-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:4_14-1\" class=\"reference\"><a href=\"#cite_note-:4-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_15-2\" class=\"reference\"><a href=\"#cite_note-:5-15\">[15]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:6_16-2\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:7_18-1\" class=\"reference\"><a href=\"#cite_note-:7-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:8_19-1\" class=\"reference\"><a href=\"#cite_note-:8-19\">[19]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:9_20-3\" class=\"reference\"><a href=\"#cite_note-:9-20\">[20]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:10_21-1\" class=\"reference\"><a href=\"#cite_note-:10-21\">[21]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:11_23-1\" class=\"reference\"><a href=\"#cite_note-:11-23\">[23]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:13_25-1\" class=\"reference\"><a href=\"#cite_note-:13-25\">[25]<\/a><\/sup>\n<\/p><p><b>Treatment prediction and reduction of side effects and medical errors<\/b>\n<\/p><p>The application of AI to clinical practice can help identify appropriate treatment options; reduce side effects, medical errors, and costs; and support the further integration of research and practice.<sup id=\"rdp-ebb-cite_ref-:20_33-0\" class=\"reference\"><a href=\"#cite_note-:20-33\">[33]<\/a><\/sup> AI allows us to explore and identify new genotypes and phenotypes of existing diseases, thus helping to improve the quality of patient care.<sup id=\"rdp-ebb-cite_ref-34\" class=\"reference\"><a href=\"#cite_note-34\">[34]<\/a><\/sup> One study reported that AI was capable of predicting the onset of acute kidney injury in a hospitalized patient 48 hours before it actually occurred, thereby enabling early treatment.<sup id=\"rdp-ebb-cite_ref-35\" class=\"reference\"><a href=\"#cite_note-35\">[35]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Managerial_and_socioeconomic_effects\">Managerial and socioeconomic effects<\/span><\/h4>\n<p>According to a 2020 report by the McKinsey Global Institute<sup id=\"rdp-ebb-cite_ref-36\" class=\"reference\"><a href=\"#cite_note-36\">[36]<\/a><\/sup>, AI helps improve operational efficiency in healthcare by reducing the time providers spend on routine and administrative tasks by up to 70%. Additionally, AI usage can help decrease medical costs, as it has been shown to improve the treatment prognosis by approximately 50% at half the cost.<sup id=\"rdp-ebb-cite_ref-:20_33-1\" class=\"reference\"><a href=\"#cite_note-:20-33\">[33]<\/a><\/sup> Another report suggests that the use of AI applications in healthcare could result in annual savings of $150 billion in the United States by 2026.<sup id=\"rdp-ebb-cite_ref-37\" class=\"reference\"><a href=\"#cite_note-37\">[37]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Internet_of_things_2\">Internet of things<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Clinical_effects_2\">Clinical effects<\/span><\/h4>\n<p><b>Real-time patient monitoring<\/b>\n<\/p><p>IoT-based medical technology can be used anywhere in the world to implement real-time patient monitoring and to detect any abnormal or potentially harmful patient behavior. This has the potential to improve the overall effectiveness of patient treatment.<sup id=\"rdp-ebb-cite_ref-38\" class=\"reference\"><a href=\"#cite_note-38\">[38]<\/a><\/sup> Furthermore, physical activity data gathered from patients via a range of sensors can be transformed into visual representations such as abstract art displays, charts, and graphs using IoT solutions. This allows healthcare professionals to comprehend and interpret patient data in a more rapid and intuitive manner.<sup id=\"rdp-ebb-cite_ref-39\" class=\"reference\"><a href=\"#cite_note-39\">[39]<\/a><\/sup> For instance, IoT solutions can be used to visually represent the severity of tremors in patients with Parkinson\u2019s disease.\n<\/p>\n<h4><span id=\"rdp-ebb-Psycho-behavioral,_managerial,_and_socioeconomic_effects\"><\/span><span class=\"mw-headline\" id=\"Psycho-behavioral.2C_managerial.2C_and_socioeconomic_effects\">Psycho-behavioral, managerial, and socioeconomic effects<\/span><\/h4>\n<p><b>Perceived usefulness of smart healthcare applications<\/b>\n<\/p><p>Out of 12 smart healthcare applications, users rated the following solutions as particularly beneficial: the integration of smart health technology with smart-care technology, smart healthcare for disease prevention and management, smart healthcare for health management, the combination of smart home and smart healthcare systems, and remote monitoring through smart healthcare (3.73 points, compared to an average of 3.67 points).<sup id=\"rdp-ebb-cite_ref-40\" class=\"reference\"><a href=\"#cite_note-40\">[40]<\/a><\/sup>\n<\/p><p><b>Improved workflow and cost reduction<\/b>\n<\/p><p>The healthcare sector primarily utilizes IoT for managing lifestyle diseases, monitoring patients with chronic conditions at home, and providing home monitoring and security through remote mobile medical services. Numerous studies have highlighted the benefits of IoT, including rapid response times, cost reduction, and low energy consumption. However, some studies have indicated that it is somewhat less effective in terms of availability, throughput, and security<sup id=\"rdp-ebb-cite_ref-41\" class=\"reference\"><a href=\"#cite_note-41\">[41]<\/a><\/sup> (Table 3). IoT facilitates more efficient and effective communication between different sectors, enabling the exchange of <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a> between objects, smart authentication, location identification, and efficient monitoring and tracking. This results in a variety of benefits, such as reducing healthcare expenditures and hospitalizations for elderly patients.<sup id=\"rdp-ebb-cite_ref-42\" class=\"reference\"><a href=\"#cite_note-42\">[42]<\/a><\/sup>\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 3.<\/b> Utility of Internet of Things solutions in organizational management (based on the results of systematic reviews). \u25cf: 2\/3 or more of the studied papers, \u25ce: 1\/3\u20132\/3 of the studied papers, \u25cb: 1\/3 or less of the studied papers.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Availability\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Response time\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Energy consumption\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Cost\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Security\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Throughput\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25ce\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><b>Reduced waiting time by improving the hospital\u2019s internal process<\/b>\n<\/p><p>IoT will help improve the workflow in hospitals.<sup id=\"rdp-ebb-cite_ref-:14_27-1\" class=\"reference\"><a href=\"#cite_note-:14-27\">[27]<\/a><\/sup> In general hospitals, the average waiting time is approximately 32.3 \u00b1 27.7 minutes. A simulation study demonstrated that implementing a short-range wireless IoT-based medical reception system could decrease this waiting time by 3.5 \u00b1 5.8 minutes in a typical hospital environment.<sup id=\"rdp-ebb-cite_ref-:15_28-1\" class=\"reference\"><a href=\"#cite_note-:15-28\">[28]<\/a><\/sup>\n<\/p><p><b>Potential socioeconomic effects<\/b>\n<\/p><p>A report from the McKinsey Global Institute suggests that by 2025, IoT could generate an annual economic benefit ranging from US $3.9 to $11 trillion. Within this, the impact on health management, as well as disease monitoring and management, could range from US $170 billion to $1.59 trillion per year.<sup id=\"rdp-ebb-cite_ref-43\" class=\"reference\"><a href=\"#cite_note-43\">[43]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Personal_health_records_2\">Personal health records<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"Clinical_effects_3\">Clinical effects<\/span><\/h4>\n<p><b>Prevention and management of chronic diseases<\/b>\n<\/p><p>A study that reviewed 23 previous studies, including seven randomized controlled trials (RCTs), examined the effects of the PHR. The study concluded that the PHR could potentially be effective in managing and preventing chronic diseases such as diabetes, hypertension, asthma, HIV, glaucoma, and hyperlipidemia, as well as managing childbirth.<sup id=\"rdp-ebb-cite_ref-:16_29-1\" class=\"reference\"><a href=\"#cite_note-:16-29\">[29]<\/a><\/sup> All these diseases and conditions share a common characteristic, namely that they are chronic conditions where self-management through behavior change is crucial. PHR technology allows healthcare providers to record, monitor, and track their patients\u2019 vital signs, such as blood pressure, body temperature, and blood glucose levels. This technology also enables providers to give timely feedback, creating a virtuous cycle in chronic disease management. Han <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:17_30-1\" class=\"reference\"><a href=\"#cite_note-:17-30\">[30]<\/a><\/sup> reviewed 24 studies, including 10 RCTs, which examined the effects of patient portal interventions on clinical outcomes. The study concluded that while the patient portal was effective for weight loss and blood glucose management, it was less effective for blood pressure and cholesterol control (Table 4).\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 4.<\/b> Utility of personal health record technology for chronic disease management (based on the results of systematic reviews). \u25cf: 2\/3 or more of the studied papers, \u25ce: 1\/3\u20132\/3 of the studied papers, \u25cb: 1\/3 or less of the studied papers.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Blood pressure management\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Blood glucose control\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Cholesterol control\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Weight loss\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25ce\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cb\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u25cf\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Although some research suggests that PHR can improve diabetes management and boost vaccination rates, the evidence supporting these claims is either inconsistent or weak. Coughlin <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:18_31-1\" class=\"reference\"><a href=\"#cite_note-:18-31\">[31]<\/a><\/sup> carried out a systematic review of 12 prior studies, five of which were RCTs, to investigate the impact of a patient web portal on diabetes treatment. The study concluded that secure messaging between healthcare providers and patients contributed to better blood glucose control. Some research indicated that PHR increased vaccination rates for influenza and pneumonia, as well as mandatory infant vaccinations. However, the strength of this evidence was questionable, as many of the studies included in the review were retrospective observational studies and the effect size was only moderate.<sup id=\"rdp-ebb-cite_ref-:19_32-1\" class=\"reference\"><a href=\"#cite_note-:19-32\">[32]<\/a><\/sup>\n<\/p><p><b>Reduced mortality and readmission rates<\/b>\n<\/p><p>Studies examining the effect of PHRs on patients\u2019 mortality and readmission rates have reported mixed findings. A three-arm RCT conducted at a teaching hospital investigated the effect of an inpatient portal intervention. The study found that the inpatient portal group showed a lower 30-day readmission rate than both the control group and the tablet PC group.<sup id=\"rdp-ebb-cite_ref-:21_44-0\" class=\"reference\"><a href=\"#cite_note-:21-44\">[44]<\/a><\/sup> Another retrospective observational study, however, found no significant difference in the 30-day readmission rate, in-hospital mortality, or 30-day mortality between the inpatient portal group and the control group.<sup id=\"rdp-ebb-cite_ref-45\" class=\"reference\"><a href=\"#cite_note-45\">[45]<\/a><\/sup>\n<\/p>\n<h4><span id=\"rdp-ebb-Psycho-behavioral,_managerial,_and_socioeconomic_effects_2\"><\/span><span class=\"mw-headline\" id=\"Psycho-behavioral.2C_managerial.2C_and_socioeconomic_effects_2\">Psycho-behavioral, managerial, and socioeconomic effects<\/span><\/h4>\n<p><b>Psycho-behavioral changes of users<\/b>\n<\/p><p>Systematic reviews have reported relatively strong evidence that the use of patient portals was effective in improving patients\u2019 health knowledge, decision-making, medication adherence, and use of preventive services.<sup id=\"rdp-ebb-cite_ref-:17_30-2\" class=\"reference\"><a href=\"#cite_note-:17-30\">[30]<\/a><\/sup>\n<\/p><p><b>Patient perceptions of medical personnel and compliance with treatment<\/b>\n<\/p><p>Studies have investigated the effects of patient portals on patients\u2019 perceptions of healthcare professionals and health information, with mixed results. A controlled study examined the effect of tablet PCs equipped with a hospitalized patient portal application on patient engagement and health knowledge. The study found that the tablet PC intervention was more effective in helping patients remember their doctors\u2019 names and understand their roles compared to the control group. However, there were no significant differences between the groups in terms of patient engagement, awareness of their nurse\u2019s name, understanding of planned tests and treatments, or recognition of medication changes.<sup id=\"rdp-ebb-cite_ref-46\" class=\"reference\"><a href=\"#cite_note-46\">[46]<\/a><\/sup> A three-arm RCT was conducted at a training hospital in New York to assess the impact of an inpatient portal intervention.<sup id=\"rdp-ebb-cite_ref-:21_44-1\" class=\"reference\"><a href=\"#cite_note-:21-44\">[44]<\/a><\/sup> Although there was no difference in patient engagement between the intervention group and both the control and tablet PC groups, the level of patient interaction with health information was higher in the intervention group than in the other two groups.\n<\/p><p>Numerous studies have reported that patient portals were highly effective in enhancing patient adherence to treatment. One RCT conducted in a specialty clinic for heart failure patients found that the group using the patient portal showed superior treatment compliance compared to the control group, although they also had more visits to the emergency department.<sup id=\"rdp-ebb-cite_ref-47\" class=\"reference\"><a href=\"#cite_note-47\">[47]<\/a><\/sup> Another RCT, which evaluated the impact of a patient portal on antidepressant treatment for depression, found that the intervention group demonstrated higher rates of adherence to antidepressant medication than the control group.<sup id=\"rdp-ebb-cite_ref-:22_48-0\" class=\"reference\"><a href=\"#cite_note-:22-48\">[48]<\/a><\/sup>\n<\/p><p><b>Improved managerial efficiency<\/b>\n<\/p><p>A survey conducted in Canada involving 957 patient portal users revealed that 48% of respondents avoided visiting doctors\u2019 offices, while 2.7% avoided emergency department visits.<sup id=\"rdp-ebb-cite_ref-49\" class=\"reference\"><a href=\"#cite_note-49\">[49]<\/a><\/sup> Furthermore, an analysis of healthcare utilization demonstrated a 53% decrease in no-show rates among patient portal users. However, a retrospective cohort study by Kaiser Permanente on patient portal users indicated an increase in clinic visits, after-hour clinic visits, telephone encounters, emergency department encounters, and hospitalizations.<sup id=\"rdp-ebb-cite_ref-50\" class=\"reference\"><a href=\"#cite_note-50\">[50]<\/a><\/sup> In a separate RCT assessing the impact of a patient portal on patients with depression, there was no discernible difference in outpatient visits and telephone encounters between the patient portal group and the control group.<sup id=\"rdp-ebb-cite_ref-:22_48-1\" class=\"reference\"><a href=\"#cite_note-:22-48\">[48]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<p>The present study reviewed the benefits of AI, IoT, and PHR from clinical, psycho-behavioral, managerial, and socioeconomic perspectives, summarizing the key findings. The benefits observed varied based on the type of IT utilized and the specific disease in question. Our review indicates that AI and PHRs can enhance clinical outcomes, while IoT holds promise for boosting managerial efficiency. However, given the limited scope and scale of prior studies, further research is warranted.\n<\/p><p>The data models, having been trained and verified on public datasets, should be continually trained, verified, and improved using actual data gathered from a variety of patients in real hospital environments.<sup id=\"rdp-ebb-cite_ref-51\" class=\"reference\"><a href=\"#cite_note-51\">[51]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-52\" class=\"reference\"><a href=\"#cite_note-52\">[52]<\/a><\/sup> Further investigation is warranted into the organizational and socioeconomic benefits of PHR. For instance, one could argue that PHR use will yield socioeconomic benefits, as they could potentially improve the efficiency of organizational management through the enhancement of patient treatment processes.\n<\/p><p>The financial stability of health insurance can also be strengthened by managing chronic diseases more effectively and efficiently<sup id=\"rdp-ebb-cite_ref-53\" class=\"reference\"><a href=\"#cite_note-53\">[53]<\/a><\/sup>, as well as by reducing redundant tests and prescriptions. Theories lacking sufficient evidence cannot adequately facilitate widespread PHR adoption, indicating a need for further research on these topics. The application of IoT in the health and medical industry is not as prevalent as in other industrial sectors. Therefore, additional research is necessary to accurately assess the impact of IoT. In the future, smart healthcare services are anticipated to become more affordable<sup id=\"rdp-ebb-cite_ref-54\" class=\"reference\"><a href=\"#cite_note-54\">[54]<\/a><\/sup>, which will enhance customer access to these services and significantly foster the growth of the IoT-based healthcare industry.\n<\/p><p>The findings from this review should be interpreted with caution due to several limitations. First, it is possible that we may have missed relevant articles in the current review that were not found through our search strategy. In addition, since we did not include gray literature, publication bias may exist. We included only articles written in Korean and English; hence, the findings cannot be generalized to studies published in non-English and non-Korean languages. Finally, most of the studies included in this review were conducted in North America, which limits the generalizability of the results.\n<\/p><p>This review has several implications for future research. As IT advances and is increasingly used in healthcare, more research on the benefits of HIT has been conducted. However, these studies have been limited to specific diseases and datasets, and thus there is a need to further expand the scope of research. For example, the scope of AI research is primarily limited to specific diseases, and most studies have been conducted using images from specific public datasets. With the increase in chronic and infectious diseases, it is necessary to continue research on developing algorithms for the prediction and diagnosis of these diseases. The findings of the present study will help identify areas of research that warrant further investigation.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>AI<\/b>: artificial intelligence<\/li>\n<li><b>AUC<\/b>: area under the curve<\/li>\n<li><b>EMR<\/b>: electronic medical record<\/li>\n<li><b>HIT<\/b>: health information technology<\/li>\n<li><b>IoT<\/b>: internet of things<\/li>\n<li><b>IT<\/b>: information technology<\/li>\n<li><b>PHR<\/b>: personal health record<\/li>\n<li><b>RCT<\/b>: randomized controlled trial<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>This research is partly based on the KOSMI Issue Report (2020), which was supported by the Ministry of Health and Welfare, Republic of Korea. Mihui Kim received a scholarship from the Brain Korea 21 FOUR Project funded by the National Research Foundation (NRF) of Korea, Yonsei University College of Nursing.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflict_of_interest\">Conflict of interest<\/span><\/h3>\n<p>Hyejung Chang and Mona Choi are editorial members of Healthcare Informatics Research; however, they were not involved in the peer reviewer selection, evaluation, and decision process of this article. 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KISTI<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/scienceon.kisti.re.kr\/mobile\/srch\/selectPORSrchReport.do?cn=TRKO201600014712&dbt=TRKO\" target=\"_blank\">https:\/\/scienceon.kisti.re.kr\/mobile\/srch\/selectPORSrchReport.do?cn=TRKO201600014712&dbt=TRKO<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Study+on+the+effect+of+the+IoT+introduction&rft.atitle=&rft.aulast=Woo-Soo%2C+Jeong%3B+Soo-Woo%2C+Park&rft.au=Woo-Soo%2C+Jeong%3B+Soo-Woo%2C+Park&rft.date=February+2015&rft.pub=KISTI&rft_id=https%3A%2F%2Fscienceon.kisti.re.kr%2Fmobile%2Fsrch%2FselectPORSrchReport.do%3Fcn%3DTRKO201600014712%26dbt%3DTRKO&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-6\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-6\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Distefano, Salvatore; Bruneo, Dario; Longo, Francesco; Merlino, Giovanni; Puliafito, Antonio (1 June 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s12668-016-0335-5\" target=\"_blank\">\"Hospitalized Patient Monitoring and Early Treatment Using IoT and Cloud\"<\/a> (in en). <i>BioNanoScience<\/i> <b>7<\/b> (2): 382\u2013385. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs12668-016-0335-5\" target=\"_blank\">10.1007\/s12668-016-0335-5<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2191-1630\" target=\"_blank\">2191-1630<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s12668-016-0335-5\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s12668-016-0335-5<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Hospitalized+Patient+Monitoring+and+Early+Treatment+Using+IoT+and+Cloud&rft.jtitle=BioNanoScience&rft.aulast=Distefano&rft.aufirst=Salvatore&rft.au=Distefano%2C%26%2332%3BSalvatore&rft.au=Bruneo%2C%26%2332%3BDario&rft.au=Longo%2C%26%2332%3BFrancesco&rft.au=Merlino%2C%26%2332%3BGiovanni&rft.au=Puliafito%2C%26%2332%3BAntonio&rft.date=1+June+2017&rft.volume=7&rft.issue=2&rft.pages=382%E2%80%93385&rft_id=info:doi\/10.1007%2Fs12668-016-0335-5&rft.issn=2191-1630&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs12668-016-0335-5&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-7\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-7\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Moser, Louise E.; Melliar-Smith, P.M. (1 June 2015). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ieeexplore.ieee.org\/document\/7226710\/\" target=\"_blank\">\"Personal Health Monitoring Using a Smartphone\"<\/a>. <i>2015 IEEE International Conference on Mobile Services<\/i> (New York City, NY, USA: IEEE): 344\u2013351. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1109%2FMobServ.2015.54\" target=\"_blank\">10.1109\/MobServ.2015.54<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4673-7284-8<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/ieeexplore.ieee.org\/document\/7226710\/\" target=\"_blank\">http:\/\/ieeexplore.ieee.org\/document\/7226710\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Personal+Health+Monitoring+Using+a+Smartphone&rft.jtitle=2015+IEEE+International+Conference+on+Mobile+Services&rft.aulast=Moser&rft.aufirst=Louise+E.&rft.au=Moser%2C%26%2332%3BLouise+E.&rft.au=Melliar-Smith%2C%26%2332%3BP.M.&rft.date=1+June+2015&rft.pages=344%E2%80%93351&rft.place=New+York+City%2C+NY%2C+USA&rft.pub=IEEE&rft_id=info:doi\/10.1109%2FMobServ.2015.54&rft.isbn=978-1-4673-7284-8&rft_id=http%3A%2F%2Fieeexplore.ieee.org%2Fdocument%2F7226710%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kulkarni, Alok; Sathe, Sampada (2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ijcsit.com\/ijcsit-v5issue5.php\" target=\"_blank\">\"Healthcare applications of the Internet of Things: A Review\"<\/a>. <i>International Journal of Computer Science & Information Technologies<\/i> <b>5<\/b> (5): 6229-6232<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ijcsit.com\/ijcsit-v5issue5.php\" target=\"_blank\">https:\/\/ijcsit.com\/ijcsit-v5issue5.php<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Healthcare+applications+of+the+Internet+of+Things%3A+A+Review&rft.jtitle=International+Journal+of+Computer+Science+%26+Information+Technologies&rft.aulast=Kulkarni%2C+Alok%3B+Sathe%2C+Sampada&rft.au=Kulkarni%2C+Alok%3B+Sathe%2C+Sampada&rft.date=2014&rft.volume=5&rft.issue=5&rft.pages=6229-6232&rft_id=https%3A%2F%2Fijcsit.com%2Fijcsit-v5issue5.php&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Markle Foundation (1 July 2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.markle.org\/publications\/1429-personal-health-working-group-final-report\/\" target=\"_blank\">\"Personal Health Working Group Final Report\"<\/a>. <i>Markle.org<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.markle.org\/publications\/1429-personal-health-working-group-final-report\/\" target=\"_blank\">https:\/\/www.markle.org\/publications\/1429-personal-health-working-group-final-report\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 31 October 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Personal+Health+Working+Group+Final+Report&rft.atitle=Markle.org&rft.aulast=Markle+Foundation&rft.au=Markle+Foundation&rft.date=1+July+2003&rft_id=https%3A%2F%2Fwww.markle.org%2Fpublications%2F1429-personal-health-working-group-final-report%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-10\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_10-0\">10.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_10-1\">10.1<\/a><\/sup> <sup><a href=\"#cite_ref-:0_10-2\">10.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lui, Thomas K.L.; Tsui, Vivien W.M.; Leung, Wai K. (1 October 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001651072034459X\" target=\"_blank\">\"Accuracy of artificial intelligence\u2013assisted detection of upper GI lesions: a systematic review and meta-analysis\"<\/a> (in en). <i>Gastrointestinal Endoscopy<\/i> <b>92<\/b> (4): 821\u2013830.e9. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.gie.2020.06.034\" target=\"_blank\">10.1016\/j.gie.2020.06.034<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001651072034459X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001651072034459X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accuracy+of+artificial+intelligence%E2%80%93assisted+detection+of+upper+GI+lesions%3A+a+systematic+review+and+meta-analysis&rft.jtitle=Gastrointestinal+Endoscopy&rft.aulast=Lui&rft.aufirst=Thomas+K.L.&rft.au=Lui%2C%26%2332%3BThomas+K.L.&rft.au=Tsui%2C%26%2332%3BVivien+W.M.&rft.au=Leung%2C%26%2332%3BWai+K.&rft.date=1+October+2020&rft.volume=92&rft.issue=4&rft.pages=821%E2%80%93830.e9&rft_id=info:doi\/10.1016%2Fj.gie.2020.06.034&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS001651072034459X&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-11\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_11-0\">11.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_11-1\">11.1<\/a><\/sup> <sup><a href=\"#cite_ref-:1_11-2\">11.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lui, Thomas K.L.; Guo, Chuan-Guo; Leung, Wai K. (1 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0016510720302091\" target=\"_blank\">\"Accuracy of artificial intelligence on histology prediction and detection of colorectal polyps: a systematic review and meta-analysis\"<\/a> (in en). <i>Gastrointestinal Endoscopy<\/i> <b>92<\/b> (1): 11\u201322.e6. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.gie.2020.02.033\" target=\"_blank\">10.1016\/j.gie.2020.02.033<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0016510720302091\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0016510720302091<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accuracy+of+artificial+intelligence+on+histology+prediction+and+detection+of+colorectal+polyps%3A+a+systematic+review+and+meta-analysis&rft.jtitle=Gastrointestinal+Endoscopy&rft.aulast=Lui&rft.aufirst=Thomas+K.L.&rft.au=Lui%2C%26%2332%3BThomas+K.L.&rft.au=Guo%2C%26%2332%3BChuan-Guo&rft.au=Leung%2C%26%2332%3BWai+K.&rft.date=1+July+2020&rft.volume=92&rft.issue=1&rft.pages=11%E2%80%9322.e6&rft_id=info:doi\/10.1016%2Fj.gie.2020.02.033&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0016510720302091&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-12\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_12-0\">12.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_12-1\">12.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_12-2\">12.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhao, Wan-Jun; Fu, Lin-Ru; Huang, Zhi-Mian; Zhu, Jing-Qiang; Ma, Bu-Yun (1 August 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/journals.lww.com\/00005792-201908090-00007\" target=\"_blank\">\"Effectiveness evaluation of computer-aided diagnosis system for the diagnosis of thyroid nodules on ultrasound: A systematic review and meta-analysis\"<\/a> (in en). <i>Medicine<\/i> <b>98<\/b> (32): e16379. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1097%2FMD.0000000000016379\" target=\"_blank\">10.1097\/MD.0000000000016379<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0025-7974\" target=\"_blank\">0025-7974<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6709241\/\" target=\"_blank\">PMC6709241<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31393347\" target=\"_blank\">31393347<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/journals.lww.com\/00005792-201908090-00007\" target=\"_blank\">https:\/\/journals.lww.com\/00005792-201908090-00007<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Effectiveness+evaluation+of+computer-aided+diagnosis+system+for+the+diagnosis+of+thyroid+nodules+on+ultrasound%3A+A+systematic+review+and+meta-analysis&rft.jtitle=Medicine&rft.aulast=Zhao&rft.aufirst=Wan-Jun&rft.au=Zhao%2C%26%2332%3BWan-Jun&rft.au=Fu%2C%26%2332%3BLin-Ru&rft.au=Huang%2C%26%2332%3BZhi-Mian&rft.au=Zhu%2C%26%2332%3BJing-Qiang&rft.au=Ma%2C%26%2332%3BBu-Yun&rft.date=1+August+2019&rft.volume=98&rft.issue=32&rft.pages=e16379&rft_id=info:doi\/10.1097%2FMD.0000000000016379&rft.issn=0025-7974&rft_id=info:pmc\/PMC6709241&rft_id=info:pmid\/31393347&rft_id=https%3A%2F%2Fjournals.lww.com%2F00005792-201908090-00007&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-13\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_13-0\">13.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_13-1\">13.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Nguyen, Anthony V.; Blears, Elizabeth E.; Ross, Evan; Lall, Rishi R.; Ortega-Barnett, Juan (1 November 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/thejns.org\/view\/journals\/neurosurg-focus\/45\/5\/article-pE5.xml\" target=\"_blank\">\"Machine learning applications for the differentiation of primary central nervous system lymphoma from glioblastoma on imaging: a systematic review and meta-analysis\"<\/a>. <i>Neurosurgical Focus<\/i> <b>45<\/b> (5): E5. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3171%2F2018.8.FOCUS18325\" target=\"_blank\">10.3171\/2018.8.FOCUS18325<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1092-0684\" target=\"_blank\">1092-0684<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/thejns.org\/view\/journals\/neurosurg-focus\/45\/5\/article-pE5.xml\" target=\"_blank\">https:\/\/thejns.org\/view\/journals\/neurosurg-focus\/45\/5\/article-pE5.xml<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Machine+learning+applications+for+the+differentiation+of+primary+central+nervous+system+lymphoma+from+glioblastoma+on+imaging%3A+a+systematic+review+and+meta-analysis&rft.jtitle=Neurosurgical+Focus&rft.aulast=Nguyen&rft.aufirst=Anthony+V.&rft.au=Nguyen%2C%26%2332%3BAnthony+V.&rft.au=Blears%2C%26%2332%3BElizabeth+E.&rft.au=Ross%2C%26%2332%3BEvan&rft.au=Lall%2C%26%2332%3BRishi+R.&rft.au=Ortega-Barnett%2C%26%2332%3BJuan&rft.date=1+November+2018&rft.volume=45&rft.issue=5&rft.pages=E5&rft_id=info:doi\/10.3171%2F2018.8.FOCUS18325&rft.issn=1092-0684&rft_id=https%3A%2F%2Fthejns.org%2Fview%2Fjournals%2Fneurosurg-focus%2F45%2F5%2Farticle-pE5.xml&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-14\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_14-0\">14.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_14-1\">14.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zheng, Xiushan; He, Bo; Hu, Yunhai; Ren, Min; Chen, Zhiyuan; Zhang, Zhiguang; Ma, Jun; Ouyang, Lanwei <i>et al.<\/i> (18 July 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.frontiersin.org\/articles\/10.3389\/fpubh.2022.938113\/full\" target=\"_blank\">\"Diagnostic Accuracy of Deep Learning and Radiomics in Lung Cancer Staging: A Systematic Review and Meta-Analysis\"<\/a>. <i>Frontiers in Public Health<\/i> <b>10<\/b>: 938113. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3389%2Ffpubh.2022.938113\" target=\"_blank\">10.3389\/fpubh.2022.938113<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2296-2565\" target=\"_blank\">2296-2565<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9339706\/\" target=\"_blank\">PMC9339706<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35923964\" target=\"_blank\">35923964<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.frontiersin.org\/articles\/10.3389\/fpubh.2022.938113\/full\" target=\"_blank\">https:\/\/www.frontiersin.org\/articles\/10.3389\/fpubh.2022.938113\/full<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Diagnostic+Accuracy+of+Deep+Learning+and+Radiomics+in+Lung+Cancer+Staging%3A+A+Systematic+Review+and+Meta-Analysis&rft.jtitle=Frontiers+in+Public+Health&rft.aulast=Zheng&rft.aufirst=Xiushan&rft.au=Zheng%2C%26%2332%3BXiushan&rft.au=He%2C%26%2332%3BBo&rft.au=Hu%2C%26%2332%3BYunhai&rft.au=Ren%2C%26%2332%3BMin&rft.au=Chen%2C%26%2332%3BZhiyuan&rft.au=Zhang%2C%26%2332%3BZhiguang&rft.au=Ma%2C%26%2332%3BJun&rft.au=Ouyang%2C%26%2332%3BLanwei&rft.au=Chu%2C%26%2332%3BHongmei&rft.date=18+July+2022&rft.volume=10&rft.pages=938113&rft_id=info:doi\/10.3389%2Ffpubh.2022.938113&rft.issn=2296-2565&rft_id=info:pmc\/PMC9339706&rft_id=info:pmid\/35923964&rft_id=https%3A%2F%2Fwww.frontiersin.org%2Farticles%2F10.3389%2Ffpubh.2022.938113%2Ffull&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-15\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_15-0\">15.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_15-1\">15.1<\/a><\/sup> <sup><a href=\"#cite_ref-:5_15-2\">15.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Xu, He-Li; Gong, Ting-Ting; Liu, Fang-Hua; Chen, Hong-Yu; Xiao, Qian; Hou, Yang; Huang, Ying; Sun, Hong-Zan <i>et al.<\/i> (1 November 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2589537022003923\" target=\"_blank\">\"Artificial intelligence performance in image-based ovarian cancer identification: A systematic review and meta-analysis\"<\/a> (in en). <i>eClinicalMedicine<\/i> <b>53<\/b>: 101662. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.eclinm.2022.101662\" target=\"_blank\">10.1016\/j.eclinm.2022.101662<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9486055\/\" target=\"_blank\">PMC9486055<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36147628\" target=\"_blank\">36147628<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2589537022003923\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2589537022003923<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Artificial+intelligence+performance+in+image-based+ovarian+cancer+identification%3A+A+systematic+review+and+meta-analysis&rft.jtitle=eClinicalMedicine&rft.aulast=Xu&rft.aufirst=He-Li&rft.au=Xu%2C%26%2332%3BHe-Li&rft.au=Gong%2C%26%2332%3BTing-Ting&rft.au=Liu%2C%26%2332%3BFang-Hua&rft.au=Chen%2C%26%2332%3BHong-Yu&rft.au=Xiao%2C%26%2332%3BQian&rft.au=Hou%2C%26%2332%3BYang&rft.au=Huang%2C%26%2332%3BYing&rft.au=Sun%2C%26%2332%3BHong-Zan&rft.au=Shi%2C%26%2332%3BYu&rft.date=1+November+2022&rft.volume=53&rft.pages=101662&rft_id=info:doi\/10.1016%2Fj.eclinm.2022.101662&rft_id=info:pmc\/PMC9486055&rft_id=info:pmid\/36147628&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2589537022003923&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-16\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_16-0\">16.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_16-1\">16.1<\/a><\/sup> <sup><a href=\"#cite_ref-:6_16-2\">16.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Islam, Md. Mohaimenul; Poly, Tahmina Nasrin; Walther, Bruno Andreas; Yang, Hsuan Chia; Li, Yu-Chuan (Jack) (3 April 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2077-0383\/9\/4\/1018\" target=\"_blank\">\"Artificial Intelligence in Ophthalmology: A Meta-Analysis of Deep Learning Models for Retinal Vessels Segmentation\"<\/a> (in en). <i>Journal of Clinical Medicine<\/i> <b>9<\/b> (4): 1018. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fjcm9041018\" target=\"_blank\">10.3390\/jcm9041018<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2077-0383\" target=\"_blank\">2077-0383<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7231106\/\" target=\"_blank\">PMC7231106<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32260311\" target=\"_blank\">32260311<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2077-0383\/9\/4\/1018\" target=\"_blank\">https:\/\/www.mdpi.com\/2077-0383\/9\/4\/1018<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Artificial+Intelligence+in+Ophthalmology%3A+A+Meta-Analysis+of+Deep+Learning+Models+for+Retinal+Vessels+Segmentation&rft.jtitle=Journal+of+Clinical+Medicine&rft.aulast=Islam&rft.aufirst=Md.+Mohaimenul&rft.au=Islam%2C%26%2332%3BMd.+Mohaimenul&rft.au=Poly%2C%26%2332%3BTahmina+Nasrin&rft.au=Walther%2C%26%2332%3BBruno+Andreas&rft.au=Yang%2C%26%2332%3BHsuan+Chia&rft.au=Li%2C%26%2332%3BYu-Chuan+%28Jack%29&rft.date=3+April+2020&rft.volume=9&rft.issue=4&rft.pages=1018&rft_id=info:doi\/10.3390%2Fjcm9041018&rft.issn=2077-0383&rft_id=info:pmc\/PMC7231106&rft_id=info:pmid\/32260311&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2077-0383%2F9%2F4%2F1018&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wang, Shirui; Zhang, Yuelun; Lei, Shubin; Zhu, Huijuan; Li, Jianqiang; Wang, Qing; Yang, Jijiang; Chen, Shi <i>et al.<\/i> (1 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/ejendo\/article\/183\/1\/41\/6653706\" target=\"_blank\">\"Performance of deep neural network-based artificial intelligence method in diabetic retinopathy screening: a systematic review and meta-analysis of diagnostic test accuracy\"<\/a>. <i>European Journal of Endocrinology<\/i> <b>183<\/b> (1): 41\u201349. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1530%2FEJE-19-0968\" target=\"_blank\">10.1530\/EJE-19-0968<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0804-4643\" target=\"_blank\">0804-4643<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/ejendo\/article\/183\/1\/41\/6653706\" target=\"_blank\">https:\/\/academic.oup.com\/ejendo\/article\/183\/1\/41\/6653706<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Performance+of+deep+neural+network-based+artificial+intelligence+method+in+diabetic+retinopathy+screening%3A+a+systematic+review+and+meta-analysis+of+diagnostic+test+accuracy&rft.jtitle=European+Journal+of+Endocrinology&rft.aulast=Wang&rft.aufirst=Shirui&rft.au=Wang%2C%26%2332%3BShirui&rft.au=Zhang%2C%26%2332%3BYuelun&rft.au=Lei%2C%26%2332%3BShubin&rft.au=Zhu%2C%26%2332%3BHuijuan&rft.au=Li%2C%26%2332%3BJianqiang&rft.au=Wang%2C%26%2332%3BQing&rft.au=Yang%2C%26%2332%3BJijiang&rft.au=Chen%2C%26%2332%3BShi&rft.au=Pan%2C%26%2332%3BHui&rft.date=1+July+2020&rft.volume=183&rft.issue=1&rft.pages=41%E2%80%9349&rft_id=info:doi\/10.1530%2FEJE-19-0968&rft.issn=0804-4643&rft_id=https%3A%2F%2Facademic.oup.com%2Fejendo%2Farticle%2F183%2F1%2F41%2F6653706&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-18\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_18-0\">18.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_18-1\">18.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhang, Hanfei; Wang, Amanda Y.; Wu, Shukun; Ngo, Johnathan; Feng, Yunlin; He, Xin; Zhang, Yingfeng; Wu, Xingwei <i>et al.<\/i> (19 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcnephrol.biomedcentral.com\/articles\/10.1186\/s12882-022-03025-w\" target=\"_blank\">\"Artificial intelligence for the prediction of acute kidney injury during the perioperative period: systematic review and Meta-analysis of diagnostic test accuracy\"<\/a> (in en). <i>BMC Nephrology<\/i> <b>23<\/b> (1): 405. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12882-022-03025-w\" target=\"_blank\">10.1186\/s12882-022-03025-w<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1471-2369\" target=\"_blank\">1471-2369<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9761969\/\" target=\"_blank\">PMC9761969<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36536317\" target=\"_blank\">36536317<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcnephrol.biomedcentral.com\/articles\/10.1186\/s12882-022-03025-w\" target=\"_blank\">https:\/\/bmcnephrol.biomedcentral.com\/articles\/10.1186\/s12882-022-03025-w<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Artificial+intelligence+for+the+prediction+of+acute+kidney+injury+during+the+perioperative+period%3A+systematic+review+and+Meta-analysis+of+diagnostic+test+accuracy&rft.jtitle=BMC+Nephrology&rft.aulast=Zhang&rft.aufirst=Hanfei&rft.au=Zhang%2C%26%2332%3BHanfei&rft.au=Wang%2C%26%2332%3BAmanda+Y.&rft.au=Wu%2C%26%2332%3BShukun&rft.au=Ngo%2C%26%2332%3BJohnathan&rft.au=Feng%2C%26%2332%3BYunlin&rft.au=He%2C%26%2332%3BXin&rft.au=Zhang%2C%26%2332%3BYingfeng&rft.au=Wu%2C%26%2332%3BXingwei&rft.au=Hong%2C%26%2332%3BDaqing&rft.date=19+December+2022&rft.volume=23&rft.issue=1&rft.pages=405&rft_id=info:doi\/10.1186%2Fs12882-022-03025-w&rft.issn=1471-2369&rft_id=info:pmc\/PMC9761969&rft_id=info:pmid\/36536317&rft_id=https%3A%2F%2Fbmcnephrol.biomedcentral.com%2Farticles%2F10.1186%2Fs12882-022-03025-w&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:8-19\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:8_19-0\">19.0<\/a><\/sup> <sup><a href=\"#cite_ref-:8_19-1\">19.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lei, Nuo; Zhang, Xianlong; Wei, Mengting; Lao, Beini; Xu, Xueyi; Zhang, Min; Chen, Huifen; Xu, Yanmin <i>et al.<\/i> (1 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-022-01951-1\" target=\"_blank\">\"Machine learning algorithms\u2019 accuracy in predicting kidney disease progression: a systematic review and meta-analysis\"<\/a> (in en). <i>BMC Medical Informatics and Decision Making<\/i> <b>22<\/b> (1): 205. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12911-022-01951-1\" target=\"_blank\">10.1186\/s12911-022-01951-1<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-6947\" target=\"_blank\">1472-6947<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9341041\/\" target=\"_blank\">PMC9341041<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35915457\" target=\"_blank\">35915457<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-022-01951-1\" target=\"_blank\">https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-022-01951-1<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Machine+learning+algorithms%E2%80%99+accuracy+in+predicting+kidney+disease+progression%3A+a+systematic+review+and+meta-analysis&rft.jtitle=BMC+Medical+Informatics+and+Decision+Making&rft.aulast=Lei&rft.aufirst=Nuo&rft.au=Lei%2C%26%2332%3BNuo&rft.au=Zhang%2C%26%2332%3BXianlong&rft.au=Wei%2C%26%2332%3BMengting&rft.au=Lao%2C%26%2332%3BBeini&rft.au=Xu%2C%26%2332%3BXueyi&rft.au=Zhang%2C%26%2332%3BMin&rft.au=Chen%2C%26%2332%3BHuifen&rft.au=Xu%2C%26%2332%3BYanmin&rft.au=Xia%2C%26%2332%3BBingqing&rft.date=1+December+2022&rft.volume=22&rft.issue=1&rft.pages=205&rft_id=info:doi\/10.1186%2Fs12911-022-01951-1&rft.issn=1472-6947&rft_id=info:pmc\/PMC9341041&rft_id=info:pmid\/35915457&rft_id=https%3A%2F%2Fbmcmedinformdecismak.biomedcentral.com%2Farticles%2F10.1186%2Fs12911-022-01951-1&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:9-20\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:9_20-0\">20.0<\/a><\/sup> <sup><a href=\"#cite_ref-:9_20-1\">20.1<\/a><\/sup> <sup><a href=\"#cite_ref-:9_20-2\">20.2<\/a><\/sup> <sup><a href=\"#cite_ref-:9_20-3\">20.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Tang, Chun Xiang; 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Joseph; Assen, Marly van; Stroud, Robert E.; Li, Jian Hua; Zhang, Xiao Lei <i>et al.<\/i> (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0720048X19301457\" target=\"_blank\">\"Diagnostic performance of fractional flow reserve derived from coronary CT angiography for detection of lesion-specific ischemia: A multi-center study and meta-analysis\"<\/a> (in en). <i>European Journal of Radiology<\/i> <b>116<\/b>: 90\u201397. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.ejrad.2019.04.011\" target=\"_blank\">10.1016\/j.ejrad.2019.04.011<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0720048X19301457\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0720048X19301457<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Diagnostic+performance+of+fractional+flow+reserve+derived+from+coronary+CT+angiography+for+detection+of+lesion-specific+ischemia%3A+A+multi-center+study+and+meta-analysis&rft.jtitle=European+Journal+of+Radiology&rft.aulast=Tang&rft.aufirst=Chun+Xiang&rft.au=Tang%2C%26%2332%3BChun+Xiang&rft.au=Wang%2C%26%2332%3BYi+Ning&rft.au=Zhou%2C%26%2332%3BFan&rft.au=Schoepf%2C%26%2332%3BU.+Joseph&rft.au=Assen%2C%26%2332%3BMarly+van&rft.au=Stroud%2C%26%2332%3BRobert+E.&rft.au=Li%2C%26%2332%3BJian+Hua&rft.au=Zhang%2C%26%2332%3BXiao+Lei&rft.au=Lu%2C%26%2332%3BMeng+Jie&rft.date=1+July+2019&rft.volume=116&rft.pages=90%E2%80%9397&rft_id=info:doi\/10.1016%2Fj.ejrad.2019.04.011&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0720048X19301457&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:10-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:10_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:10_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Li, Xin-Mu; Gao, Xin-Yi; Tse, Gary; Hong, Shen-Da; Chen, Kang-Yin; Li, Guang-Ping; Liu, Tong (29 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/jgc301.com\/en\/article\/doi\/10.11909\/j.issn.1671-5411.2022.12.002\" target=\"_blank\">\"Electrocardiogram-based artificial intelligence for the diagnosis of heart failure: a systematic review and meta-analysis\"<\/a> (in en). <i>Journal of Geriatric Cardiology<\/i> <b>19<\/b> (12): 970\u2013980. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.11909%2Fj.issn.1671-5411.2022.12.002\" target=\"_blank\">10.11909\/j.issn.1671-5411.2022.12.002<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1671-5411\" target=\"_blank\">1671-5411<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9807402\/\" target=\"_blank\">PMC9807402<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36632204\" target=\"_blank\">36632204<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/jgc301.com\/en\/article\/doi\/10.11909\/j.issn.1671-5411.2022.12.002\" target=\"_blank\">http:\/\/jgc301.com\/en\/article\/doi\/10.11909\/j.issn.1671-5411.2022.12.002<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Electrocardiogram-based+artificial+intelligence+for+the+diagnosis+of+heart+failure%3A+a+systematic+review+and+meta-analysis&rft.jtitle=Journal+of+Geriatric+Cardiology&rft.aulast=Li&rft.aufirst=Xin-Mu&rft.au=Li%2C%26%2332%3BXin-Mu&rft.au=Gao%2C%26%2332%3BXin-Yi&rft.au=Tse%2C%26%2332%3BGary&rft.au=Hong%2C%26%2332%3BShen-Da&rft.au=Chen%2C%26%2332%3BKang-Yin&rft.au=Li%2C%26%2332%3BGuang-Ping&rft.au=Liu%2C%26%2332%3BTong&rft.date=29+December+2022&rft.volume=19&rft.issue=12&rft.pages=970%E2%80%93980&rft_id=info:doi\/10.11909%2Fj.issn.1671-5411.2022.12.002&rft.issn=1671-5411&rft_id=info:pmc\/PMC9807402&rft_id=info:pmid\/36632204&rft_id=http%3A%2F%2Fjgc301.com%2Fen%2Farticle%2Fdoi%2F10.11909%2Fj.issn.1671-5411.2022.12.002&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Islam, Md. Mohaimenul; Nasrin, Tahmina; Walther, Bruno Andreas; Wu, Chieh-Chen; Yang, Hsuan-Chia; Li, Yu-Chuan (1 March 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S016926071831602X\" target=\"_blank\">\"Prediction of sepsis patients using machine learning approach: A meta-analysis\"<\/a> (in en). <i>Computer Methods and Programs in Biomedicine<\/i> <b>170<\/b>: 1\u20139. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cmpb.2018.12.027\" target=\"_blank\">10.1016\/j.cmpb.2018.12.027<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S016926071831602X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S016926071831602X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Prediction+of+sepsis+patients+using+machine+learning+approach%3A+A+meta-analysis&rft.jtitle=Computer+Methods+and+Programs+in+Biomedicine&rft.aulast=Islam&rft.aufirst=Md.+Mohaimenul&rft.au=Islam%2C%26%2332%3BMd.+Mohaimenul&rft.au=Nasrin%2C%26%2332%3BTahmina&rft.au=Walther%2C%26%2332%3BBruno+Andreas&rft.au=Wu%2C%26%2332%3BChieh-Chen&rft.au=Yang%2C%26%2332%3BHsuan-Chia&rft.au=Li%2C%26%2332%3BYu-Chuan&rft.date=1+March+2019&rft.volume=170&rft.pages=1%E2%80%939&rft_id=info:doi\/10.1016%2Fj.cmpb.2018.12.027&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS016926071831602X&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:11-23\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:11_23-0\">23.0<\/a><\/sup> <sup><a href=\"#cite_ref-:11_23-1\">23.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Li, Yuanyuan; Zhang, Zhenyan; Dai, Cong; Dong, Qiang; Badrigilan, Samireh (1 August 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001048252030247X\" target=\"_blank\">\"Accuracy of deep learning for automated detection of pneumonia using chest X-Ray images: A systematic review and meta-analysis\"<\/a> (in en). <i>Computers in Biology and Medicine<\/i> <b>123<\/b>: 103898. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.compbiomed.2020.103898\" target=\"_blank\">10.1016\/j.compbiomed.2020.103898<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001048252030247X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S001048252030247X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Accuracy+of+deep+learning+for+automated+detection+of+pneumonia+using+chest+X-Ray+images%3A+A+systematic+review+and+meta-analysis&rft.jtitle=Computers+in+Biology+and+Medicine&rft.aulast=Li&rft.aufirst=Yuanyuan&rft.au=Li%2C%26%2332%3BYuanyuan&rft.au=Zhang%2C%26%2332%3BZhenyan&rft.au=Dai%2C%26%2332%3BCong&rft.au=Dong%2C%26%2332%3BQiang&rft.au=Badrigilan%2C%26%2332%3BSamireh&rft.date=1+August+2020&rft.volume=123&rft.pages=103898&rft_id=info:doi\/10.1016%2Fj.compbiomed.2020.103898&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS001048252030247X&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:12-24\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:12_24-0\">24.0<\/a><\/sup> <sup><a href=\"#cite_ref-:12_24-1\">24.1<\/a><\/sup> <sup><a href=\"#cite_ref-:12_24-2\">24.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Balayla, Jacques; Shrem, Guy (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s00404-019-05151-7\" target=\"_blank\">\"Use of artificial intelligence (AI) in the interpretation of intrapartum fetal heart rate (FHR) tracings: a systematic review and meta-analysis\"<\/a> (in en). <i>Archives of Gynecology and Obstetrics<\/i> <b>300<\/b> (1): 7\u201314. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00404-019-05151-7\" target=\"_blank\">10.1007\/s00404-019-05151-7<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0932-0067\" target=\"_blank\">0932-0067<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s00404-019-05151-7\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s00404-019-05151-7<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Use+of+artificial+intelligence+%28AI%29+in+the+interpretation+of+intrapartum+fetal+heart+rate+%28FHR%29+tracings%3A+a+systematic+review+and+meta-analysis&rft.jtitle=Archives+of+Gynecology+and+Obstetrics&rft.aulast=Balayla&rft.aufirst=Jacques&rft.au=Balayla%2C%26%2332%3BJacques&rft.au=Shrem%2C%26%2332%3BGuy&rft.date=1+July+2019&rft.volume=300&rft.issue=1&rft.pages=7%E2%80%9314&rft_id=info:doi\/10.1007%2Fs00404-019-05151-7&rft.issn=0932-0067&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs00404-019-05151-7&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:13-25\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:13_25-0\">25.0<\/a><\/sup> <sup><a href=\"#cite_ref-:13_25-1\">25.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hassanipour, Soheil; Ghaem, Haleh; Arab-Zozani, Morteza; Seif, Mozhgan; Fararouei, Mohammad; Abdzadeh, Elham; Sabetian, Golnar; Paydar, Shahram (1 February 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0020138319300075\" target=\"_blank\">\"Comparison of artificial neural network and logistic regression models for prediction of outcomes in trauma patients: A systematic review and meta-analysis\"<\/a> (in en). <i>Injury<\/i> <b>50<\/b> (2): 244\u2013250. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.injury.2019.01.007\" target=\"_blank\">10.1016\/j.injury.2019.01.007<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0020138319300075\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0020138319300075<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Comparison+of+artificial+neural+network+and+logistic+regression+models+for+prediction+of+outcomes+in+trauma+patients%3A+A+systematic+review+and+meta-analysis&rft.jtitle=Injury&rft.aulast=Hassanipour&rft.aufirst=Soheil&rft.au=Hassanipour%2C%26%2332%3BSoheil&rft.au=Ghaem%2C%26%2332%3BHaleh&rft.au=Arab-Zozani%2C%26%2332%3BMorteza&rft.au=Seif%2C%26%2332%3BMozhgan&rft.au=Fararouei%2C%26%2332%3BMohammad&rft.au=Abdzadeh%2C%26%2332%3BElham&rft.au=Sabetian%2C%26%2332%3BGolnar&rft.au=Paydar%2C%26%2332%3BShahram&rft.date=1+February+2019&rft.volume=50&rft.issue=2&rft.pages=244%E2%80%93250&rft_id=info:doi\/10.1016%2Fj.injury.2019.01.007&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0020138319300075&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-26\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-26\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lee, Yena; Ragguett, Renee-Marie; Mansur, Rodrigo B.; Boutilier, Justin J.; Rosenblat, Joshua D.; Trevizol, Alisson; Brietzke, Elisa; Lin, Kangguang <i>et al.<\/i> (1 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165032718304853\" target=\"_blank\">\"Applications of machine learning algorithms to predict therapeutic outcomes in depression: A meta-analysis and systematic review\"<\/a> (in en). <i>Journal of Affective Disorders<\/i> <b>241<\/b>: 519\u2013532. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jad.2018.08.073\" target=\"_blank\">10.1016\/j.jad.2018.08.073<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165032718304853\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0165032718304853<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Applications+of+machine+learning+algorithms+to+predict+therapeutic+outcomes+in+depression%3A+A+meta-analysis+and+systematic+review&rft.jtitle=Journal+of+Affective+Disorders&rft.aulast=Lee&rft.aufirst=Yena&rft.au=Lee%2C%26%2332%3BYena&rft.au=Ragguett%2C%26%2332%3BRenee-Marie&rft.au=Mansur%2C%26%2332%3BRodrigo+B.&rft.au=Boutilier%2C%26%2332%3BJustin+J.&rft.au=Rosenblat%2C%26%2332%3BJoshua+D.&rft.au=Trevizol%2C%26%2332%3BAlisson&rft.au=Brietzke%2C%26%2332%3BElisa&rft.au=Lin%2C%26%2332%3BKangguang&rft.au=Pan%2C%26%2332%3BZihang&rft.date=1+December+2018&rft.volume=241&rft.pages=519%E2%80%93532&rft_id=info:doi\/10.1016%2Fj.jad.2018.08.073&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0165032718304853&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:14-27\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:14_27-0\">27.0<\/a><\/sup> <sup><a href=\"#cite_ref-:14_27-1\">27.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Alharbe, Nawaf; S. Atkins, Anthony (27 May 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.emerald.com\/insight\/content\/doi\/10.1108\/IJPCC-03-2014-0026\/full\/html\" target=\"_blank\">\"A study of the application of automatic healthcare tracking and monitoring system in Saudi Arabia\"<\/a> (in en). <i>International Journal of Pervasive Computing and Communications<\/i> <b>10<\/b> (2): 183\u2013195. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1108%2FIJPCC-03-2014-0026\" target=\"_blank\">10.1108\/IJPCC-03-2014-0026<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1742-7371\" target=\"_blank\">1742-7371<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.emerald.com\/insight\/content\/doi\/10.1108\/IJPCC-03-2014-0026\/full\/html\" target=\"_blank\">https:\/\/www.emerald.com\/insight\/content\/doi\/10.1108\/IJPCC-03-2014-0026\/full\/html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+study+of+the+application+of+automatic+healthcare+tracking+and+monitoring+system+in+Saudi+Arabia&rft.jtitle=International+Journal+of+Pervasive+Computing+and+Communications&rft.aulast=Alharbe&rft.aufirst=Nawaf&rft.au=Alharbe%2C%26%2332%3BNawaf&rft.au=S.+Atkins%2C%26%2332%3BAnthony&rft.date=27+May+2014&rft.volume=10&rft.issue=2&rft.pages=183%E2%80%93195&rft_id=info:doi\/10.1108%2FIJPCC-03-2014-0026&rft.issn=1742-7371&rft_id=https%3A%2F%2Fwww.emerald.com%2Finsight%2Fcontent%2Fdoi%2F10.1108%2FIJPCC-03-2014-0026%2Ffull%2Fhtml&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:15-28\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:15_28-0\">28.0<\/a><\/sup> <sup><a href=\"#cite_ref-:15_28-1\">28.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Baek, Yu-Jin; Lee, Hyo-Seung; Oh, Jae-Chul (31 August 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/doi.org\/10.13067\/JKIECS.2020.15.4.785\" target=\"_blank\">\"A Study on the Near Field IoT Medical Receipt System Based on Uncontact\"<\/a>. <i>The Journal of the Korea institute of electronic communication sciences<\/i> <b>15<\/b> (4): 785\u2013790. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.13067%2FJKIECS.2020.15.4.785\" target=\"_blank\">10.13067\/JKIECS.2020.15.4.785<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/doi.org\/10.13067\/JKIECS.2020.15.4.785\" target=\"_blank\">https:\/\/doi.org\/10.13067\/JKIECS.2020.15.4.785<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Study+on+the+Near+Field+IoT+Medical+Receipt+System+Based+on+Uncontact&rft.jtitle=The+Journal+of+the+Korea+institute+of+electronic+communication+sciences&rft.aulast=Baek&rft.aufirst=Yu-Jin&rft.au=Baek%2C%26%2332%3BYu-Jin&rft.au=Lee%2C%26%2332%3BHyo-Seung&rft.au=Oh%2C%26%2332%3BJae-Chul&rft.date=31+August+2020&rft.volume=15&rft.issue=4&rft.pages=785%E2%80%93790&rft_id=info:doi\/10.13067%2FJKIECS.2020.15.4.785&rft_id=https%3A%2F%2Fdoi.org%2F10.13067%2FJKIECS.2020.15.4.785&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:16-29\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:16_29-0\">29.0<\/a><\/sup> <sup><a href=\"#cite_ref-:16_29-1\">29.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Price, Morgan; Bellwood, Paule; Kitson, Nicole; Davies, Iryna; Weber, Jens; Lau, Francis (1 December 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-015-0159-1\" target=\"_blank\">\"Conditions potentially sensitive to a Personal Health Record (PHR) intervention, a systematic review\"<\/a> (in en). <i>BMC Medical Informatics and Decision Making<\/i> <b>15<\/b> (1): 32. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12911-015-0159-1\" target=\"_blank\">10.1186\/s12911-015-0159-1<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1472-6947\" target=\"_blank\">1472-6947<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC4411701\/\" target=\"_blank\">PMC4411701<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25927384\" target=\"_blank\">25927384<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-015-0159-1\" target=\"_blank\">https:\/\/bmcmedinformdecismak.biomedcentral.com\/articles\/10.1186\/s12911-015-0159-1<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Conditions+potentially+sensitive+to+a+Personal+Health+Record+%28PHR%29+intervention%2C+a+systematic+review&rft.jtitle=BMC+Medical+Informatics+and+Decision+Making&rft.aulast=Price&rft.aufirst=Morgan&rft.au=Price%2C%26%2332%3BMorgan&rft.au=Bellwood%2C%26%2332%3BPaule&rft.au=Kitson%2C%26%2332%3BNicole&rft.au=Davies%2C%26%2332%3BIryna&rft.au=Weber%2C%26%2332%3BJens&rft.au=Lau%2C%26%2332%3BFrancis&rft.date=1+December+2015&rft.volume=15&rft.issue=1&rft.pages=32&rft_id=info:doi\/10.1186%2Fs12911-015-0159-1&rft.issn=1472-6947&rft_id=info:pmc\/PMC4411701&rft_id=info:pmid\/25927384&rft_id=https%3A%2F%2Fbmcmedinformdecismak.biomedcentral.com%2Farticles%2F10.1186%2Fs12911-015-0159-1&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:17-30\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:17_30-0\">30.0<\/a><\/sup> <sup><a href=\"#cite_ref-:17_30-1\">30.1<\/a><\/sup> <sup><a href=\"#cite_ref-:17_30-2\">30.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Han, Hae-Ra; Gleason, Kelly T; Sun, Chun-An; Miller, Hailey N; Kang, Soo Jin; Chow, Sotera; Anderson, Rachel; Nagy, Paul <i>et al.<\/i> (19 December 2019). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/humanfactors.jmir.org\/2019\/4\/e15038\/\" target=\"_blank\">\"Using Patient Portals to Improve Patient Outcomes: Systematic Review\"<\/a> (in en). <i>JMIR Human Factors<\/i> <b>6<\/b> (4): e15038. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2196%2F15038\" target=\"_blank\">10.2196\/15038<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2292-9495\" target=\"_blank\">2292-9495<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6940868\/\" target=\"_blank\">PMC6940868<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31855187\" target=\"_blank\">31855187<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/humanfactors.jmir.org\/2019\/4\/e15038\/\" target=\"_blank\">http:\/\/humanfactors.jmir.org\/2019\/4\/e15038\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Using+Patient+Portals+to+Improve+Patient+Outcomes%3A+Systematic+Review&rft.jtitle=JMIR+Human+Factors&rft.aulast=Han&rft.aufirst=Hae-Ra&rft.au=Han%2C%26%2332%3BHae-Ra&rft.au=Gleason%2C%26%2332%3BKelly+T&rft.au=Sun%2C%26%2332%3BChun-An&rft.au=Miller%2C%26%2332%3BHailey+N&rft.au=Kang%2C%26%2332%3BSoo+Jin&rft.au=Chow%2C%26%2332%3BSotera&rft.au=Anderson%2C%26%2332%3BRachel&rft.au=Nagy%2C%26%2332%3BPaul&rft.au=Bauer%2C%26%2332%3BTom&rft.date=19+December+2019&rft.volume=6&rft.issue=4&rft.pages=e15038&rft_id=info:doi\/10.2196%2F15038&rft.issn=2292-9495&rft_id=info:pmc\/PMC6940868&rft_id=info:pmid\/31855187&rft_id=http%3A%2F%2Fhumanfactors.jmir.org%2F2019%2F4%2Fe15038%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:18-31\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:18_31-0\">31.0<\/a><\/sup> <sup><a href=\"#cite_ref-:18_31-1\">31.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Coughlin, Steven S.; Williams, Lovoria B.; Hatzigeorgiou, Christos (12 June 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/mhealth.amegroups.com\/article\/view\/15229\/15319\" target=\"_blank\">\"A systematic review of studies of web portals for patients with diabetes mellitus\"<\/a>. <i>mHealth<\/i> <b>3<\/b>: 23\u201323. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21037%2Fmhealth.2017.05.05\" target=\"_blank\">10.21037\/mhealth.2017.05.05<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5505929\/\" target=\"_blank\">PMC5505929<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/28736732\" target=\"_blank\">28736732<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/mhealth.amegroups.com\/article\/view\/15229\/15319\" target=\"_blank\">http:\/\/mhealth.amegroups.com\/article\/view\/15229\/15319<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+systematic+review+of+studies+of+web+portals+for+patients+with+diabetes+mellitus&rft.jtitle=mHealth&rft.aulast=Coughlin&rft.aufirst=Steven+S.&rft.au=Coughlin%2C%26%2332%3BSteven+S.&rft.au=Williams%2C%26%2332%3BLovoria+B.&rft.au=Hatzigeorgiou%2C%26%2332%3BChristos&rft.date=12+June+2017&rft.volume=3&rft.pages=23%E2%80%9323&rft_id=info:doi\/10.21037%2Fmhealth.2017.05.05&rft_id=info:pmc\/PMC5505929&rft_id=info:pmid\/28736732&rft_id=http%3A%2F%2Fmhealth.amegroups.com%2Farticle%2Fview%2F15229%2F15319&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:19-32\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:19_32-0\">32.0<\/a><\/sup> <sup><a href=\"#cite_ref-:19_32-1\">32.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Balzarini, Federica; Frascella, Beatrice; Oradini-Alacreu, Aurea; Gaetti, Giovanni; Lopalco, Pier Luigi; Edelstein, Michael; Azzopardi-Muscat, Natasha; Signorelli, Carlo <i>et al.<\/i> (1 August 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0264410X20307386\" target=\"_blank\">\"Does the use of personal electronic health records increase vaccine uptake? A systematic review\"<\/a> (in en). <i>Vaccine<\/i> <b>38<\/b> (38): 5966\u20135978. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.vaccine.2020.05.083\" target=\"_blank\">10.1016\/j.vaccine.2020.05.083<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0264410X20307386\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0264410X20307386<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Does+the+use+of+personal+electronic+health+records+increase+vaccine+uptake%3F+A+systematic+review&rft.jtitle=Vaccine&rft.aulast=Balzarini&rft.aufirst=Federica&rft.au=Balzarini%2C%26%2332%3BFederica&rft.au=Frascella%2C%26%2332%3BBeatrice&rft.au=Oradini-Alacreu%2C%26%2332%3BAurea&rft.au=Gaetti%2C%26%2332%3BGiovanni&rft.au=Lopalco%2C%26%2332%3BPier+Luigi&rft.au=Edelstein%2C%26%2332%3BMichael&rft.au=Azzopardi-Muscat%2C%26%2332%3BNatasha&rft.au=Signorelli%2C%26%2332%3BCarlo&rft.au=Odone%2C%26%2332%3BAnna&rft.date=1+August+2020&rft.volume=38&rft.issue=38&rft.pages=5966%E2%80%935978&rft_id=info:doi\/10.1016%2Fj.vaccine.2020.05.083&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0264410X20307386&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:20-33\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:20_33-0\">33.0<\/a><\/sup> <sup><a href=\"#cite_ref-:20_33-1\">33.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bennett, Casey C.; 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Korea Information Society Development Institute<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.kisdi.re.kr\/report\/view.do?key=m2101113024153&arrMasterId=3934560&masterId=3934560&artId=532562\" target=\"_blank\">https:\/\/www.kisdi.re.kr\/report\/view.do?key=m2101113024153&arrMasterId=3934560&masterId=3934560&artId=532562<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Research+on+the+evolution+of+the+Internet+and+socio-economic+paradigm+changes%3A+Focusing+on+the+Internet+of+Things&rft.atitle=&rft.aulast=Park%2C+Yu-ri%3B+Kang%2C+Ha-yeon%3B+Kim%2C+Change-wan+et+al.&rft.au=Park%2C+Yu-ri%3B+Kang%2C+Ha-yeon%3B+Kim%2C+Change-wan+et+al.&rft.date=30+November+2015&rft.pub=Korea+Information+Society+Development+Institute&rft_id=https%3A%2F%2Fwww.kisdi.re.kr%2Freport%2Fview.do%3Fkey%3Dm2101113024153%26arrMasterId%3D3934560%26masterId%3D3934560%26artId%3D532562&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-41\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-41\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Asghari, Parvaneh; Rahmani, Amir Masoud; Javadi, Hamid Haj Seyyed (1 January 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1389128618305127\" target=\"_blank\">\"Internet of Things applications: A systematic review\"<\/a> (in en). <i>Computer Networks<\/i> <b>148<\/b>: 241\u2013261. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.comnet.2018.12.008\" target=\"_blank\">10.1016\/j.comnet.2018.12.008<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1389128618305127\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1389128618305127<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Internet+of+Things+applications%3A+A+systematic+review&rft.jtitle=Computer+Networks&rft.aulast=Asghari&rft.aufirst=Parvaneh&rft.au=Asghari%2C%26%2332%3BParvaneh&rft.au=Rahmani%2C%26%2332%3BAmir+Masoud&rft.au=Javadi%2C%26%2332%3BHamid+Haj+Seyyed&rft.date=1+January+2019&rft.volume=148&rft.pages=241%E2%80%93261&rft_id=info:doi\/10.1016%2Fj.comnet.2018.12.008&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS1389128618305127&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-42\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-42\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Alharbe, Nawaf; Atkins, Anthony S.; Akbari, Akbar Sheikh (2013). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dl.acm.org\/citation.cfm?doid=2536853.2536904\" target=\"_blank\">\"Application of ZigBee and RFID Technologies in Healthcare in Conjunction with the Internet of Things\"<\/a> (in en). <i>Proceedings of International Conference on Advances in Mobile Computing & Multimedia - MoMM '13<\/i> (Vienna, Austria: ACM Press): 191\u2013195. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1145%2F2536853.2536904\" target=\"_blank\">10.1145\/2536853.2536904<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4503-2106-8<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/dl.acm.org\/citation.cfm?doid=2536853.2536904\" target=\"_blank\">http:\/\/dl.acm.org\/citation.cfm?doid=2536853.2536904<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Application+of+ZigBee+and+RFID+Technologies+in+Healthcare+in+Conjunction+with+the+Internet+of+Things&rft.jtitle=Proceedings+of+International+Conference+on+Advances+in+Mobile+Computing+%26+Multimedia+-+MoMM+%2713&rft.aulast=Alharbe&rft.aufirst=Nawaf&rft.au=Alharbe%2C%26%2332%3BNawaf&rft.au=Atkins%2C%26%2332%3BAnthony+S.&rft.au=Akbari%2C%26%2332%3BAkbar+Sheikh&rft.date=2013&rft.pages=191%E2%80%93195&rft.place=Vienna%2C+Austria&rft.pub=ACM+Press&rft_id=info:doi\/10.1145%2F2536853.2536904&rft.isbn=978-1-4503-2106-8&rft_id=http%3A%2F%2Fdl.acm.org%2Fcitation.cfm%3Fdoid%3D2536853.2536904&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-43\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-43\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Manyika, J.; Chui, M.; Bisson, P. et al. (June 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mckinsey.com\/~\/media\/mckinsey\/industries\/technology%20media%20and%20telecommunications\/high%20tech\/our%20insights\/the%20internet%20of%20things%20the%20value%20of%20digitizing%20the%20physical%20world\/unlocking_the_potential_of_the_internet_of_things_executive_summary.pdf\" target=\"_blank\">\"The Internet of Things: Mapping the Value Beyond the Hype - Executive Summary\"<\/a> (PDF). McKinsey & Company<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mckinsey.com\/~\/media\/mckinsey\/industries\/technology%20media%20and%20telecommunications\/high%20tech\/our%20insights\/the%20internet%20of%20things%20the%20value%20of%20digitizing%20the%20physical%20world\/unlocking_the_potential_of_the_internet_of_things_executive_summary.pdf\" target=\"_blank\">https:\/\/www.mckinsey.com\/~\/media\/mckinsey\/industries\/technology%20media%20and%20telecommunications\/high%20tech\/our%20insights\/the%20internet%20of%20things%20the%20value%20of%20digitizing%20the%20physical%20world\/unlocking_the_potential_of_the_internet_of_things_executive_summary.pdf<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 31 October 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=The+Internet+of+Things%3A+Mapping+the+Value+Beyond+the+Hype+-+Executive+Summary&rft.atitle=&rft.aulast=Manyika%2C+J.%3B+Chui%2C+M.%3B+Bisson%2C+P.+et+al.&rft.au=Manyika%2C+J.%3B+Chui%2C+M.%3B+Bisson%2C+P.+et+al.&rft.date=June+2015&rft.pub=McKinsey+%26+Company&rft_id=https%3A%2F%2Fwww.mckinsey.com%2F%7E%2Fmedia%2Fmckinsey%2Findustries%2Ftechnology%2520media%2520and%2520telecommunications%2Fhigh%2520tech%2Four%2520insights%2Fthe%2520internet%2520of%2520things%2520the%2520value%2520of%2520digitizing%2520the%2520physical%2520world%2Funlocking_the_potential_of_the_internet_of_things_executive_summary.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:21-44\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:21_44-0\">44.0<\/a><\/sup> <sup><a href=\"#cite_ref-:21_44-1\">44.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Masterson Creber, Ruth M; Grossman, Lisa V; Ryan, Beatriz; Qian, Min; Polubriaginof, Fernanda C G; Restaino, Susan; Bakken, Suzanne; Hripcsak, George <i>et al.<\/i> (1 February 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jamia\/article\/26\/2\/115\/5235387\" target=\"_blank\">\"Engaging hospitalized patients with personalized health information: a randomized trial of an inpatient portal\"<\/a> (in en). <i>Journal of the American Medical Informatics Association<\/i> <b>26<\/b> (2): 115\u2013123. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fjamia%2Focy146\" target=\"_blank\">10.1093\/jamia\/ocy146<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1067-5027\" target=\"_blank\">1067-5027<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6339515\/\" target=\"_blank\">PMC6339515<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30534990\" target=\"_blank\">30534990<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jamia\/article\/26\/2\/115\/5235387\" target=\"_blank\">https:\/\/academic.oup.com\/jamia\/article\/26\/2\/115\/5235387<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Engaging+hospitalized+patients+with+personalized+health+information%3A+a+randomized+trial+of+an+inpatient+portal&rft.jtitle=Journal+of+the+American+Medical+Informatics+Association&rft.aulast=Masterson+Creber&rft.aufirst=Ruth+M&rft.au=Masterson+Creber%2C%26%2332%3BRuth+M&rft.au=Grossman%2C%26%2332%3BLisa+V&rft.au=Ryan%2C%26%2332%3BBeatriz&rft.au=Qian%2C%26%2332%3BMin&rft.au=Polubriaginof%2C%26%2332%3BFernanda+C+G&rft.au=Restaino%2C%26%2332%3BSusan&rft.au=Bakken%2C%26%2332%3BSuzanne&rft.au=Hripcsak%2C%26%2332%3BGeorge&rft.au=Vawdrey%2C%26%2332%3BDavid+K&rft.date=1+February+2019&rft.volume=26&rft.issue=2&rft.pages=115%E2%80%93123&rft_id=info:doi\/10.1093%2Fjamia%2Focy146&rft.issn=1067-5027&rft_id=info:pmc\/PMC6339515&rft_id=info:pmid\/30534990&rft_id=https%3A%2F%2Facademic.oup.com%2Fjamia%2Farticle%2F26%2F2%2F115%2F5235387&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-45\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-45\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Dumitrascu, Adrian G; Burton, M Caroline; Dawson, Nancy L; Thomas, Colleen S; Nordan, Lisa M; Greig, Hope E; Aljabri, Duaa I; Naessens, James M (1 April 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jamia\/article\/25\/4\/447\/4781349\" target=\"_blank\">\"Patient portal use and hospital outcomes\"<\/a> (in en). <i>Journal of the American Medical Informatics Association<\/i> <b>25<\/b> (4): 447\u2013453. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fjamia%2Focx149\" target=\"_blank\">10.1093\/jamia\/ocx149<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1067-5027\" target=\"_blank\">1067-5027<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7647026\/\" target=\"_blank\">PMC7647026<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29300961\" target=\"_blank\">29300961<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jamia\/article\/25\/4\/447\/4781349\" target=\"_blank\">https:\/\/academic.oup.com\/jamia\/article\/25\/4\/447\/4781349<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Patient+portal+use+and+hospital+outcomes&rft.jtitle=Journal+of+the+American+Medical+Informatics+Association&rft.aulast=Dumitrascu&rft.aufirst=Adrian+G&rft.au=Dumitrascu%2C%26%2332%3BAdrian+G&rft.au=Burton%2C%26%2332%3BM+Caroline&rft.au=Dawson%2C%26%2332%3BNancy+L&rft.au=Thomas%2C%26%2332%3BColleen+S&rft.au=Nordan%2C%26%2332%3BLisa+M&rft.au=Greig%2C%26%2332%3BHope+E&rft.au=Aljabri%2C%26%2332%3BDuaa+I&rft.au=Naessens%2C%26%2332%3BJames+M&rft.date=1+April+2018&rft.volume=25&rft.issue=4&rft.pages=447%E2%80%93453&rft_id=info:doi\/10.1093%2Fjamia%2Focx149&rft.issn=1067-5027&rft_id=info:pmc\/PMC7647026&rft_id=info:pmid\/29300961&rft_id=https%3A%2F%2Facademic.oup.com%2Fjamia%2Farticle%2F25%2F4%2F447%2F4781349&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-46\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-46\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">O\u2019Leary, Kevin J; Lohman, Mary E; Culver, Eckford; Killarney, Audrey; Randy Smith, G; Liebovitz, David M (1 January 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jamia\/article\/23\/1\/159\/2379932\" target=\"_blank\">\"The effect of tablet computers with a mobile patient portal application on hospitalized patients\u2019 knowledge and activation\"<\/a> (in en). <i>Journal of the American Medical Informatics Association<\/i> <b>23<\/b> (1): 159\u2013165. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fjamia%2Focv058\" target=\"_blank\">10.1093\/jamia\/ocv058<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1527-974X\" target=\"_blank\">1527-974X<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7814920\/\" target=\"_blank\">PMC7814920<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26078412\" target=\"_blank\">26078412<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jamia\/article\/23\/1\/159\/2379932\" target=\"_blank\">https:\/\/academic.oup.com\/jamia\/article\/23\/1\/159\/2379932<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+effect+of+tablet+computers+with+a+mobile+patient+portal+application+on+hospitalized+patients%E2%80%99+knowledge+and+activation&rft.jtitle=Journal+of+the+American+Medical+Informatics+Association&rft.aulast=O%E2%80%99Leary&rft.aufirst=Kevin+J&rft.au=O%E2%80%99Leary%2C%26%2332%3BKevin+J&rft.au=Lohman%2C%26%2332%3BMary+E&rft.au=Culver%2C%26%2332%3BEckford&rft.au=Killarney%2C%26%2332%3BAudrey&rft.au=Randy+Smith%2C%26%2332%3BG&rft.au=Liebovitz%2C%26%2332%3BDavid+M&rft.date=1+January+2016&rft.volume=23&rft.issue=1&rft.pages=159%E2%80%93165&rft_id=info:doi\/10.1093%2Fjamia%2Focv058&rft.issn=1527-974X&rft_id=info:pmc\/PMC7814920&rft_id=info:pmid\/26078412&rft_id=https%3A%2F%2Facademic.oup.com%2Fjamia%2Farticle%2F23%2F1%2F159%2F2379932&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-47\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-47\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ross, Stephen E; Moore, Laurie A; Earnest, Mark A; Wittevrongel, Loretta; Lin, Chen-Tan (14 May 2004). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.jmir.org\/2004\/2\/e12\/\" target=\"_blank\">\"Providing a Web-based Online Medical Record with Electronic Communication Capabilities to Patients With Congestive Heart Failure: Randomized Trial\"<\/a> (in en). <i>Journal of Medical Internet Research<\/i> <b>6<\/b> (2): e12. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2196%2Fjmir.6.2.e12\" target=\"_blank\">10.2196\/jmir.6.2.e12<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1438-8871\" target=\"_blank\">1438-8871<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC1550594\/\" target=\"_blank\">PMC1550594<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/15249261\" target=\"_blank\">15249261<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.jmir.org\/2004\/2\/e12\/\" target=\"_blank\">http:\/\/www.jmir.org\/2004\/2\/e12\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Providing+a+Web-based+Online+Medical+Record+with+Electronic+Communication+Capabilities+to+Patients+With+Congestive+Heart+Failure%3A+Randomized+Trial&rft.jtitle=Journal+of+Medical+Internet+Research&rft.aulast=Ross&rft.aufirst=Stephen+E&rft.au=Ross%2C%26%2332%3BStephen+E&rft.au=Moore%2C%26%2332%3BLaurie+A&rft.au=Earnest%2C%26%2332%3BMark+A&rft.au=Wittevrongel%2C%26%2332%3BLoretta&rft.au=Lin%2C%26%2332%3BChen-Tan&rft.date=14+May+2004&rft.volume=6&rft.issue=2&rft.pages=e12&rft_id=info:doi\/10.2196%2Fjmir.6.2.e12&rft.issn=1438-8871&rft_id=info:pmc\/PMC1550594&rft_id=info:pmid\/15249261&rft_id=http%3A%2F%2Fwww.jmir.org%2F2004%2F2%2Fe12%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:22-48\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:22_48-0\">48.0<\/a><\/sup> <sup><a href=\"#cite_ref-:22_48-1\">48.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Simon, Gregory E.; Ralston, James D.; Savarino, James; Pabiniak, Chester; Wentzel, Christine; Operskalski, Belinda H. (1 July 2011). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s11606-011-1679-8\" target=\"_blank\">\"Randomized Trial of Depression Follow-Up Care by Online Messaging\"<\/a> (in en). <i>Journal of General Internal Medicine<\/i> <b>26<\/b> (7): 698\u2013704. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs11606-011-1679-8\" target=\"_blank\">10.1007\/s11606-011-1679-8<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0884-8734\" target=\"_blank\">0884-8734<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3138593\/\" target=\"_blank\">PMC3138593<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/21384219\" target=\"_blank\">21384219<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s11606-011-1679-8\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s11606-011-1679-8<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Randomized+Trial+of+Depression+Follow-Up+Care+by+Online+Messaging&rft.jtitle=Journal+of+General+Internal+Medicine&rft.aulast=Simon&rft.aufirst=Gregory+E.&rft.au=Simon%2C%26%2332%3BGregory+E.&rft.au=Ralston%2C%26%2332%3BJames+D.&rft.au=Savarino%2C%26%2332%3BJames&rft.au=Pabiniak%2C%26%2332%3BChester&rft.au=Wentzel%2C%26%2332%3BChristine&rft.au=Operskalski%2C%26%2332%3BBelinda+H.&rft.date=1+July+2011&rft.volume=26&rft.issue=7&rft.pages=698%E2%80%93704&rft_id=info:doi\/10.1007%2Fs11606-011-1679-8&rft.issn=0884-8734&rft_id=info:pmc\/PMC3138593&rft_id=info:pmid\/21384219&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs11606-011-1679-8&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-49\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-49\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Graham, Timothy A D; Ali, Samina; Avdagovska, Melita; Ballermann, Mark (19 May 2020). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.jmir.org\/2020\/5\/e17955\/\" target=\"_blank\">\"Effects of a Web-Based Patient Portal on Patient Satisfaction and Missed Appointment Rates: Survey Study\"<\/a> (in en). <i>Journal of Medical Internet Research<\/i> <b>22<\/b> (5): e17955. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2196%2F17955\" target=\"_blank\">10.2196\/17955<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1438-8871\" target=\"_blank\">1438-8871<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7267992\/\" target=\"_blank\">PMC7267992<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32427109\" target=\"_blank\">32427109<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.jmir.org\/2020\/5\/e17955\/\" target=\"_blank\">http:\/\/www.jmir.org\/2020\/5\/e17955\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Effects+of+a+Web-Based+Patient+Portal+on+Patient+Satisfaction+and+Missed+Appointment+Rates%3A+Survey+Study&rft.jtitle=Journal+of+Medical+Internet+Research&rft.aulast=Graham&rft.aufirst=Timothy+A+D&rft.au=Graham%2C%26%2332%3BTimothy+A+D&rft.au=Ali%2C%26%2332%3BSamina&rft.au=Avdagovska%2C%26%2332%3BMelita&rft.au=Ballermann%2C%26%2332%3BMark&rft.date=19+May+2020&rft.volume=22&rft.issue=5&rft.pages=e17955&rft_id=info:doi\/10.2196%2F17955&rft.issn=1438-8871&rft_id=info:pmc\/PMC7267992&rft_id=info:pmid\/32427109&rft_id=http%3A%2F%2Fwww.jmir.org%2F2020%2F5%2Fe17955%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-50\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-50\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Palen, Ted E.; Ross, Colleen; Powers, J. David; Xu, Stanley (21 November 2012). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/jama.jamanetwork.com\/article.aspx?doi=10.1001\/jama.2012.14126\" target=\"_blank\">\"Association of Online Patient Access to Clinicians and Medical Records With Use of Clinical Services\"<\/a> (in en). <i>JAMA<\/i> <b>308<\/b> (19): 2012. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1001%2Fjama.2012.14126\" target=\"_blank\">10.1001\/jama.2012.14126<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0098-7484\" target=\"_blank\">0098-7484<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/jama.jamanetwork.com\/article.aspx?doi=10.1001\/jama.2012.14126\" target=\"_blank\">http:\/\/jama.jamanetwork.com\/article.aspx?doi=10.1001\/jama.2012.14126<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Association+of+Online+Patient+Access+to+Clinicians+and+Medical+Records+With+Use+of+Clinical+Services&rft.jtitle=JAMA&rft.aulast=Palen&rft.aufirst=Ted+E.&rft.au=Palen%2C%26%2332%3BTed+E.&rft.au=Ross%2C%26%2332%3BColleen&rft.au=Powers%2C%26%2332%3BJ.+David&rft.au=Xu%2C%26%2332%3BStanley&rft.date=21+November+2012&rft.volume=308&rft.issue=19&rft.pages=2012&rft_id=info:doi\/10.1001%2Fjama.2012.14126&rft.issn=0098-7484&rft_id=http%3A%2F%2Fjama.jamanetwork.com%2Farticle.aspx%3Fdoi%3D10.1001%2Fjama.2012.14126&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-51\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-51\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Liu, Fang; Panagiotakos, Demosthenes (5 November 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcmedresmethodol.biomedcentral.com\/articles\/10.1186\/s12874-022-01768-6\" target=\"_blank\">\"Real-world data: a brief review of the methods, applications, challenges and opportunities\"<\/a> (in en). <i>BMC Medical Research Methodology<\/i> <b>22<\/b> (1): 287. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12874-022-01768-6\" target=\"_blank\">10.1186\/s12874-022-01768-6<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1471-2288\" target=\"_blank\">1471-2288<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9636688\/\" target=\"_blank\">PMC9636688<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/36335315\" target=\"_blank\">36335315<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcmedresmethodol.biomedcentral.com\/articles\/10.1186\/s12874-022-01768-6\" target=\"_blank\">https:\/\/bmcmedresmethodol.biomedcentral.com\/articles\/10.1186\/s12874-022-01768-6<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Real-world+data%3A+a+brief+review+of+the+methods%2C+applications%2C+challenges+and+opportunities&rft.jtitle=BMC+Medical+Research+Methodology&rft.aulast=Liu&rft.aufirst=Fang&rft.au=Liu%2C%26%2332%3BFang&rft.au=Panagiotakos%2C%26%2332%3BDemosthenes&rft.date=5+November+2022&rft.volume=22&rft.issue=1&rft.pages=287&rft_id=info:doi\/10.1186%2Fs12874-022-01768-6&rft.issn=1471-2288&rft_id=info:pmc\/PMC9636688&rft_id=info:pmid\/36335315&rft_id=https%3A%2F%2Fbmcmedresmethodol.biomedcentral.com%2Farticles%2F10.1186%2Fs12874-022-01768-6&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-52\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-52\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Koo, Dongjun; Lee, Ah Ra; Lee, Eunjoo; Kim, Il Kon (31 July 2022). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/e-hir.org\/journal\/view.php?doi=10.4258\/hir.2022.28.3.231\" target=\"_blank\">\"Development of a Frailty Detection Model Using Machine Learning with the Korean Frailty and Aging Cohort Study Data\"<\/a> (in en). <i>Healthcare Informatics Research<\/i> <b>28<\/b> (3): 231\u2013239. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4258%2Fhir.2022.28.3.231\" target=\"_blank\">10.4258\/hir.2022.28.3.231<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2093-369X\" target=\"_blank\">2093-369X<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9388915\/\" target=\"_blank\">PMC9388915<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35982597\" target=\"_blank\">35982597<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/e-hir.org\/journal\/view.php?doi=10.4258\/hir.2022.28.3.231\" target=\"_blank\">http:\/\/e-hir.org\/journal\/view.php?doi=10.4258\/hir.2022.28.3.231<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Development+of+a+Frailty+Detection+Model+Using+Machine+Learning+with+the+Korean+Frailty+and+Aging+Cohort+Study+Data&rft.jtitle=Healthcare+Informatics+Research&rft.aulast=Koo&rft.aufirst=Dongjun&rft.au=Koo%2C%26%2332%3BDongjun&rft.au=Lee%2C%26%2332%3BAh+Ra&rft.au=Lee%2C%26%2332%3BEunjoo&rft.au=Kim%2C%26%2332%3BIl+Kon&rft.date=31+July+2022&rft.volume=28&rft.issue=3&rft.pages=231%E2%80%93239&rft_id=info:doi\/10.4258%2Fhir.2022.28.3.231&rft.issn=2093-369X&rft_id=info:pmc\/PMC9388915&rft_id=info:pmid\/35982597&rft_id=http%3A%2F%2Fe-hir.org%2Fjournal%2Fview.php%3Fdoi%3D10.4258%2Fhir.2022.28.3.231&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-53\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-53\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ding, Hui; Chen, Yiwei; Yu, Min; Zhong, Jieming; Hu, Ruying; Chen, Xiangyu; Wang, Chunmei; Xie, Kaixu <i>et al.<\/i> (1 December 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167629621001247\" target=\"_blank\">\"The Effects of Chronic Disease Management in Primary Health Care: Evidence from Rural China\"<\/a> (in en). <i>Journal of Health Economics<\/i> <b>80<\/b>: 102539. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jhealeco.2021.102539\" target=\"_blank\">10.1016\/j.jhealeco.2021.102539<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167629621001247\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167629621001247<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Effects+of+Chronic+Disease+Management+in+Primary+Health+Care%3A+Evidence+from+Rural+China&rft.jtitle=Journal+of+Health+Economics&rft.aulast=Ding&rft.aufirst=Hui&rft.au=Ding%2C%26%2332%3BHui&rft.au=Chen%2C%26%2332%3BYiwei&rft.au=Yu%2C%26%2332%3BMin&rft.au=Zhong%2C%26%2332%3BJieming&rft.au=Hu%2C%26%2332%3BRuying&rft.au=Chen%2C%26%2332%3BXiangyu&rft.au=Wang%2C%26%2332%3BChunmei&rft.au=Xie%2C%26%2332%3BKaixu&rft.au=Eggleston%2C%26%2332%3BKaren&rft.date=1+December+2021&rft.volume=80&rft.pages=102539&rft_id=info:doi\/10.1016%2Fj.jhealeco.2021.102539&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0167629621001247&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-54\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-54\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Senbekov, Maksut; Saliev, Timur; Bukeyeva, Zhanar; Almabayeva, Aigul; Zhanaliyeva, Marina; Aitenova, Nazym; Toishibekov, Yerzhan; Fakhradiyev, Ildar (3 December 2020). Fayn, Jocelyne. ed. <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.hindawi.com\/journals\/ijta\/2020\/8830200\/\" target=\"_blank\">\"The Recent Progress and Applications of Digital Technologies in Healthcare: A Review\"<\/a> (in en). <i>International Journal of Telemedicine and Applications<\/i> <b>2020<\/b>: 1\u201318. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1155%2F2020%2F8830200\" target=\"_blank\">10.1155\/2020\/8830200<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1687-6423\" target=\"_blank\">1687-6423<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7732404\/\" target=\"_blank\">PMC7732404<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33343657\" target=\"_blank\">33343657<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.hindawi.com\/journals\/ijta\/2020\/8830200\/\" target=\"_blank\">https:\/\/www.hindawi.com\/journals\/ijta\/2020\/8830200\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Recent+Progress+and+Applications+of+Digital+Technologies+in+Healthcare%3A+A+Review&rft.jtitle=International+Journal+of+Telemedicine+and+Applications&rft.aulast=Senbekov&rft.aufirst=Maksut&rft.au=Senbekov%2C%26%2332%3BMaksut&rft.au=Saliev%2C%26%2332%3BTimur&rft.au=Bukeyeva%2C%26%2332%3BZhanar&rft.au=Almabayeva%2C%26%2332%3BAigul&rft.au=Zhanaliyeva%2C%26%2332%3BMarina&rft.au=Aitenova%2C%26%2332%3BNazym&rft.au=Toishibekov%2C%26%2332%3BYerzhan&rft.au=Fakhradiyev%2C%26%2332%3BIldar&rft.date=3+December+2020&rft.volume=2020&rft.pages=1%E2%80%9318&rft_id=info:doi\/10.1155%2F2020%2F8830200&rft.issn=1687-6423&rft_id=info:pmc\/PMC7732404&rft_id=info:pmid\/33343657&rft_id=https%3A%2F%2Fwww.hindawi.com%2Fjournals%2Fijta%2F2020%2F8830200%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104143225\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.919 seconds\nReal time usage: 1.002 seconds\nPreprocessor visited node count: 58560\/1000000\nPost\u2010expand include size: 553577\/2097152 bytes\nTemplate argument size: 167167\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 152848\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 902.598 1 -total\n 91.34% 824.472 1 Template:Reflist\n 69.48% 627.151 54 Template:Citation\/core\n 69.39% 626.342 49 Template:Cite_journal\n 12.07% 108.899 52 Template:Date\n 9.12% 82.360 128 Template:Citation\/identifier\n 4.55% 41.096 5 Template:Cite_web\n 3.68% 33.234 1 Template:Infobox_journal_article\n 3.13% 28.270 1 Template:Infobox\n 2.98% 26.872 256 Template:Hide_in_print\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14835-0!canonical and timestamp 20240104143224 and revision id 55193. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records\">https:\/\/www.limswiki.org\/index.php\/Journal:Benefits_of_information_technology_in_healthcare:_Artificial_intelligence,_internet_of_things,_and_personal_health_records<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","a6564f37a9f33293ed1e7c891432fbfe_images":[],"a6564f37a9f33293ed1e7c891432fbfe_timestamp":1704389296,"82f7f2e44a6ed2d71c1cce8714435736_type":"article","82f7f2e44a6ed2d71c1cce8714435736_title":"A quality assurance discrimination tool for the evaluation of satellite laboratory practice excellence in the context of European regulatory meat inspection for Trichinella spp. (Villegas-P\u00e9rez et al. 2023)","82f7f2e44a6ed2d71c1cce8714435736_url":"https:\/\/www.limswiki.org\/index.php\/Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.","82f7f2e44a6ed2d71c1cce8714435736_plaintext":"\n\nJournal:A quality assurance discrimination tool for the evaluation of satellite laboratory practice excellence in the context of European regulatory meat inspection for Trichinella spp.From LIMSWikiJump to navigationJump to searchFull article title\n \nA quality assurance discrimination tool for the evaluation of satellite laboratory practice excellence in the context of European regulatory meat inspection for Trichinella spp.Journal\n \nFoodsAuthor(s)\n \nVillegas-P\u00e9rez, Jos\u00e9; Navas-Gonz\u00e1lez, Francisco J.; Serrano, Salud; Garc\u00eda-Viejo, Fernando; Buffoni, LeandroAuthor affiliation(s)\n \nUniversity of Cordoba, Junta de AndaluciaPrimary contact\n \nfjnavas at uco dot esYear published\n \n2023Volume and issue\n \n12(22)Article #\n \n4186DOI\n \n10.3390\/foods12224186ISSN\n \n2304-8158Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.mdpi.com\/2304-8158\/12\/22\/4186Download\n \nhttps:\/\/www.mdpi.com\/2304-8158\/12\/22\/4186\/pdf?version=1700532935 (PDF)\n\n\n\n\n \n This article contains rendered mathematical formulae. You may require the TeX All the Things plugin for Chrome or the Native MathML add-on and fonts for Firefox if they don't render properly for you. \n\n\nContents \n\n1 Abstract \n2 Introduction \n3 Material and methods \n\n3.1 Study units and period: Satellite laboratories in Southern Spain \n3.2 Study sample \n3.3 Audits \n3.4 Deviation classification and coding \n3.5 Canonical discriminant analysis \n\n3.5.1 Multicollinearity preliminary testing \n3.5.2 Canonical correlation dimension determination \n3.5.3 CDA efficiency \n3.5.4 CDA model reliability \n3.5.5 Canonical coefficients and loading interpretation and spatial representation \n3.5.6 Discriminant function cross-validation \n\n\n\n\n4 Results \n\n4.1 Multicollinearity prevention: Preliminary testing \n4.2 CDA \n\n4.2.1 CDA model reliability \n4.2.2 Canonical coefficients, loading interpretation, and spatial representation \n\n\n\n\n5 Discussion \n6 Conclusions \n7 Supplementary materials \n8 Abbreviations, acronyms, and initialisms \n9 Acknowledgements \n\n9.1 Author contributions \n9.2 Funding \n9.3 Data availability \n9.4 Conflict of interest \n\n\n10 References \n11 Notes \n\n\n\nAbstract \nTrichinellosis is a parasitic foodborne zoonotic disease transmitted by ingestion of raw or undercooked meat containing the first larval stage (L1) of the nematode. To ensure the quality and safety of food intended for human consumption, meat inspection for detection of Trichinella spp. larvae is a mandatory procedure per European Union (E.U.) regulations. The implementation of quality assurance (QA) practices in laboratories that are responsible for Trichinella spp. detection is essential given that the detection of this parasite is still a pivotal threat to public health, and it is included in List A of Annex I, Directive 2003\/99\/EC, which determines the agents to be monitored on a mandatory basis. \nA quality management system (QMS) was applied to slaughterhouses and game-handling establishments conducting Trichinella spp. testing without official accreditation but under the supervision of the relevant authority. This study aims to retrospectively analyze the outcomes of implementing the QMS in slaughterhouses and game-handling establishments involved in Trichinella testing in southern Spain. Canonical discriminant analyses (CDAs) were performed to design a tool enabling the classification of satellite laboratories (SLs) while determining whether linear combinations of measures of QA-related traits describe within- and between-SL clustering patterns. The participation of two or more auditors improves the homogeneity of the results deriving from audits. However, when training expertise ensures that such levels of inter-\/intralaboratory homogeneity are reached, auditors can perform single audits and act as potential trainers for other auditors. Additionally, technical procedure issues were the primary risk factors identified during audits, which suggests that they should be considered a critical control point (CCP) (for purposes of hazard analysis and critical control points [HACCP] evaluations) within the QMS.\nKeywords: trichinellosis, Trichinella, laboratories, food safety, quality management system, canonical discriminant analysis\n\nIntroduction \nTrichinellosis is a worldwide foodborne zoonotic disease caused by the ingestion of the helminth Trichinella spp. Pigs, both domestic and wild, are the main reservoirs, and human infection is primarily linked to the consumption of raw or undercooked meat from infected animals without veterinary inspection.[1] Currently, this parasite continues to pose a significant threat to public health, and it is included in List A of Annex I, Directive 2003\/99\/EC of the European Union (E.U.)[2] on the surveillance of zoonoses and zoonotic agents, which determines the agents that have to be monitored on a mandatory basis. According to the E.U., 117 human cases have been reported during 2020, with 99 out of the 117 cases acquired within the E.U.[3]\nThe detection of Trichinella spp. larvae during meat inspection is performed using the magnetic stirrer method of the artificial digestion technique. The method is considered the \"gold standard\" for Trichinella spp. detection, being \"capable of consistently detecting Trichinella larvae in meat at a level of sensitivity that is recognized to be effective for use in controlling animal infection and preventing human disease.\"[4] Also, it is a mandatory procedure according to regulation EU 2015\/1375[5], which lays down specific rules on official controls for Trichinella in meat. This regulation also specifies equivalent techniques for Trichinella spp. larvae detection in analyzed samples.\nAs the International Commission on Trichinellosis (ICT) exposes[4], the implementation of quality assurance (QA) practices in laboratories performing Trichinella spp. detection is of the utmost importance, and the probability of detecting a positive case, if present, must be high (>95 or >99%) in order to ensure that there is a low or negligible risk of transmission to humans through the food chain.[6] Laboratories accredited to ISO\/IEC 17025[6] for Trichinella digestion testing are required to use validated diagnostic methods to confirm that the methods are fit for the intended use. In 2019, the ICT recommended the adoption of system-wide practices for QA.[4] However, the minimum required standards for QA are determined and implemented by each local public health authority in E.U. member states. European regulation EU 625\/2017[7]\u2014which places controls on testing and other official activities performed to ensure the application of food and feed law, as well as rules on animal health and welfare, plant health, and plant protection products\u2014states that the regulated control of Trichinella spp. larvae presence during meat inspection should be conducted in accredited laboratories designated by the competent authority. Furthermore, laboratories solely engaged in Trichinella spp. detection in meat using the methods outlined in EU 2015\/1375[5] may be exempt from accreditation if they operate under the supervision of the competent authority.\nThe activities performed in internal laboratories (e.g., facilities within slaughterhouses and game-handling establishments) require continuous analysis and evaluation by the competent authority. Assessing critical control points (CCPs)\u2014for example, by using a hazard analysis and critical control points (HACCP) approach\u2014involves various aspects such as personal training, diagnostic procedure performance, and document registration, among others. Additionally, continuous monitoring of each CCP is crucial for effective Trichinella spp. detection in infected meat.[8]\nIn 2011, the relevant authorities of the Andalusia region in southern Spain developed a quality management system (QMS) based on ISO\/IEC 17025.[6] This QMS was applied to slaughterhouses and game-handling establishments conducting Trichinella spp. testing without official accreditation but under the supervision of the relevant authority. The QMS not only enabled the implementation of high standards in Trichinella spp. analysis but also facilitated the identification and correction of practices that did not meet the minimum required standards.\nCanonical discriminant analysis (CDA) has been proposed as a statistical alternative to tailor HACCP plans that are to be applied to other substances and products for human consumption, such as bottled water, and allows for a comprehensive comparison of practices implemented across different facilities or brands. It provides valuable insights into the specific impact of combinations of factors, which can serve as pivotal points in discerning variations in practice application among these facilities or brands. Additionally, CDA facilitates the exploration of similarities and dissimilarities in the practices adopted by these facilities, unveiling clustering patterns that aid in effectively addressing potential issues.[9] To enhance the reliability of these statistical tools, CDA methods are often complemented by cross-validation techniques. This approach not only helps in pinpointing potential problems along the operational chain but also aids in characterizing the nature and associated risks of these issues.[9] CDA statistical tools are routinely followed by cross-validation techniques, which in turn can help identify issues along the chain and determine the potential nature of the issues and the risk that they imply.\nTherefore, the objective of this study is to retrospectively analyze the outcomes of implementing the QMS in slaughterhouses and game-handling establishments involved in Trichinella testing in southern Spain. This translatable discriminant tool permits us to assess the development of QA practices across internal laboratories using DCA and the follow-up cross-validation methods. In turn, the outcomes of the present paper may provide an insight on which items or issues along the implementation of the QMS act as critical discriminant points across laboratories, thus assisting in the determination of the Trichinella risk that their occurrence and frequency may imply for the human food supply chain.\n\nMaterial and methods \nStudy units and period: Satellite laboratories in Southern Spain \nThe present study evaluates the implementation of a QMS based on UNE-EN ISO\/IEC 17025[6] in a total of 18 satellite laboratories (SLs), seven of which were in the province of Cordoba (four in slaughterhouses and three in game-handling establishments) and 11 in the province of Seville (nine in slaughterhouses and two in game-handling establishments). A description of the particular activity carried out in each SL can be found in Table 1.\n\n\n\n\n\n\n\nTable 1. Description of the particular activity carried out by each satellite laboratory. The aforementioned establishments had the option to either implement UNE-EN ISO\/IEC 17025, obtain accreditation, and thus not be subject to the oversight of the competent authority, or choose the mentioned oversight, where the issuance of a compliant or non-compliant result must be validated by the official veterinary service (OVS) responsible for it. 1 Pig slaughter. 2 Handling of wild boar.\n\n\nSatellite laboratory\n\nActivity\n\n\nSL1\n\nSlaughterhouse1\n\n\nSL4\n\nSlaughterhouse\n\n\nSL6\n\nSlaughterhouse\n\n\nSL7\n\nGame handling establishment2\n\n\nSL8\n\nGame handling establishment\n\n\nSL9\n\nGame handling establishment\n\n\nSL13\n\nSlaughterhouse\n\n\nSL14\n\nSlaughterhouse\n\n\nSL15\n\nSlaughterhouse\n\n\nSL19\n\nGame handling establishment\n\n\nSL20\n\nSlaughterhouse\n\n\nSL21\n\nGame handling establishment\n\n\nSL22\n\nSlaughterhouse\n\n\nSL23\n\nSlaughterhouse\n\n\nSL24\n\nSlaughterhouse\n\n\nSL25\n\nSlaughterhouse\n\n\nSL27\n\nSlaughterhouse\n\n\nSL28\n\nSlaughterhouse\n\n\n\nThese SLs were chosen upon a selection criterion for the laboratory services based on the information provided, either quantitatively (e.g., number of audits conducted over a period of time) or qualitatively, which refers to the interest that the laboratory services may have based on factors such as their activity (e.g., pig slaughter, game meat processing related to wild boars, or equine slaughter) or ownership (i.e., public or private). With this approach as a starting point, SLs were selected for which data from at least four internal audits were available from the period of 2012 to 2018.\nThe SLs, being facilities within slaughterhouses and game-handling establishments, function as internal laboratories of the establishment, equipped with the necessary materials and resources to perform the analytical determination in question. Ensuring the reliability of the result is an essential requirement for accepting its validity, and according to E.U.'s regulatory requirements found in EU 2015\/1375[5], it must be supported by a QMS as a guarantee of that reliability.\nThe establishments opted for the alternative of tutelage, and under the supervision of the official veterinary service (OVS), they initiated a process to adapt the facilities where the trichinellosis investigation was carried out and acquire the necessary materials and resources to adapt to a new approach to research on Trichinella spp. This was carried out under a QA system based on the UNE-EN ISO\/IEC 17025 standard[6] and under the supervision of an accredited laboratory, designated as the reference laboratory (i.e., public health laboratory or PHL), which depended on the competent authority. The designed system relied on the necessary participation of the economic operator (EO), the OVS, and the PHL, with the collaboration of all three being essential for the effective and proper functioning of the QMS.\n\nStudy sample \nA total of 3,023 obtained data points, relative to each deviation type and subtype, found for each SL per year from 2012 to 2018, were considered.\n\nAudits \nThe criteria considered were established in Commission Regulation No. 2075\/2005 of 5 December 2005[10], which established specific rules for official controls (audits) for the presence of Trichinella in meat, and its amendments, in force at the beginning of this initiative, and which was repealed by Regulation 2015\/1375.[5]\nA checklist of 36 questions or issues was used to obtain the basic information from each SL and assess their initial conditions before the implementation of the QMS.\nThe scope of the assessment consisted of evaluating aspects related to:\n\nFacilities requirements: Premises where the investigation of Trichinella larvae is carried out.\nTechnique requirements (assay): Investigation of Trichinella larvae via hydrochloric-peptic digestion in fresh meat samples from controlling housing pigs (except for animals coming from a holding or a compartment officially recognized as applying controlled housing conditions in accordance with Annex IV\u2014Article 3, (EU) 2015\/1375)[5] and wild boars, using the method of collective sample digestion with a magnetic stirrer (reference method).\nActivity data and records: Existing records on the assay and its results, quality, and traceability.\nFor the QMS investigated here, exclusive documents (i.e., procedures) were developed, and others were designed for information recording purposes (i.e., formats), which had an individual coding but allowed for differentiation of each participating establishment. There was a necessary correlation between the aspects covered by the UNE-EN ISO\/IEC 17025 standard[6] and the developed documentation.\nThe audits were carried out using a checklist of requirements and a questionnaire regarding the dependencies and technical requirements. Subsequently, a report on the audit was prepared, documenting the observed findings. The findings could be categorized as deviations (if they represented non-compliance or potential non-compliance in the future, for example), and findings that could contribute to strengthening the QMS and be considered improvement actions could also be identified. Deviations could be classified as \"observations\" (OBSs) or \"non-conformities\" (NCs), with NCs having greater negative relevance in terms of the commitment to implementing the QMS. Both types required corrective actions, the effectiveness of which was subsequently verified, and all actions taken were documented.\nThe provided data inform about the situation of the SLs at the time of the audit and allow for an assessment of the degree of implementation and commitment to the QMS, as well as the reliability that should support the test result.\n\nDeviation classification and coding \nThe classification of deviations was carried out to prioritize them based on importance (OBS vs. NC), aspect (technical requirement vs. management requirement), and affected content (execution of the technique; equipment, material, and reagents; qualification; QA; records, formats, and other documents and their control; and others). This classification aims to establish a system of grouping findings that facilitates their identification and possible significance regarding the reliability of the result, which is the main objective of the analysis, and coincides with Gajadhar et al.[4], who affirm that the quality and accuracy of Trichinella spp. testing is dependent on the proper performance of the digestion method, the appropriate sample collection based on the target species, adequate facilities, equipment and consumables, accurate verification of findings, and proper documentation of the results. Thus, the goal is to identify findings as potential deviations and classify them based on their importance within the affected area.\nOut of all the recorded deviations, a classification into two main groups was performed to create a set of criteria that helps classify the findings. These two groups are based on whether they affect technical aspects (related to the technical execution and its immediate environment of influence) or management and documentation aspects (related to records and other documents, whose existence is necessary but does not compromise the actual execution of the test).\nThe documented findings may be related to technical requirements or management requirements and may have different intensities, measured by the degree to which they affect the validity of the activity results (whether they question their validity or not), reveal serious non-compliance with management requirements, or occur in isolated or sporadic instances without affecting the activity results or questioning the consistency in the provision of activities. Depending on the degree of impact, these deviations from regulatory requirements can be classified as OBSs or NCs. The decision to consider a finding an OB or NC, regardless of the affected scope (technical requirement or management requirement), depends on the significance or severity that the auditor believes it has in compromising the outcome.\nAfter this initial classification, a classification was carried out based on the affected scope (technical requirement vs. management requirement), and within these scopes, different components can be affected. Six components were identified, which are linked to technique and\/or test information; equipment, materials, reagents; qualification; QA; records, forms, and other documents; and other components. This categorization of components allows for the establishment of the same number of types of findings (six types, identified by numbers \"1\" through \"6\"), which are further broken down into subtypes (up to a maximum of seven, identified by letters from \"a\" through \"g\"; type 3 does not have subtypes). The defined types include the following content, which provides guidance on the findings included within their scope. This classification allows for the differentiation of 12 possible OBSs and 12 possible NCs, each with their respective subtypes, which reflect the degree of compliance with the QMS and the intensity or scope of the described deviation. \nGrouping the findings into categories based on areas and types facilitates their classification, ensuring a regulated criterion and improving uniformity in the evaluation of findings. This classification of deviations based on areas and types should be complemented by considering the importance of deviations from the perspective of issuing a valid and reliable result. It expands the dimension of the QMS beyond the analytical result itself, as not all types of findings equally affect the concepts of validity and reliability.\n\nCanonical discriminant analysis \nCDAs were performed to design a tool that enables the classification of SLs while determining whether linear combinations of measures of QA-related traits describe within- and between-SL clustering patterns. The explanatory variables used for the present analyses were the essay number (number of essays seeking the detection of Trichinella larvae), positive levels (number of Trichinella larvae cases found), auditor combinations (random combinations of the three auditors performing the audits), deviation frequency description (description of the frequency of occurrence of each deviation, Figure 1), risk description (description of the risk depending on the punctuation obtained after each audit, Figure 2), and risk punctuation on a scale from insignificant (\u226416) to imminent (\u226565) (Figure 2). Additionally, the number of deviations classified per scope (either technical or management requirement), type (either OBS or NC), and each subtype (\"a\" to \"f\") were considered as well (Table 2). Each SL was considered on one level within the laboratory clustering criterion.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. Deviation frequency description and number of cases in which deviations occurred.\n\n\n\n\n\n\n\n\n\n\n\n\nFigure 2. Risk description upon punctuation (between parentheses) and number of occasions in which such risk was faced.\n\n\n\n\n\n\n\n\n\nTable 2. Classification of deviations by type and subtype according to findings. Examples for each type of deviation are given in Table S3 as supplementary material.\n\n\nClassification of findings affecting QMS requirements\n\n\nDEVIATIONS (According to severity of the finding)\n\nObservations (OBVs)\n\n\nNon-conformities (NCs)\n\n\nAMBIT (According to affected requirement)\n\nTechnical requirements (TRs)\n\n\nManagement requirements (MRs)\n\n\nTYPES (Depending on affected component)\n\nSUBTYPES\n\n\nTYPE 1 (Affects TECHNIQUE and\/or trial information)\n\nSUBTYPE (a) The reliability of the result may be questioned by performing the necessary test or calculations incorrectly or without following the instructions indicated. Failure to follow the current technical procedure of the test. Use of material and\/or equipment that is not supported, uncontrolled, or deficient.\n\n\nSUBTYPE (b) Failure to record in the test report data that could only be known if they are collected in the test report (i.e., temperature, sieve weight, digestion %, identification of samples, reagents and\/or equipment if more than one is in use). Inappropriate use of registry spaces. Untraceable information exists.\n\n\nTYPE 2 (Affects EQUIPMENT, MATERIAL, REAGENTS)\n\nSUBTYPE (a) There is no maintenance and calibration (MANCA) plan\n\n\nSUBTYPE (b) They affect equipment and\/or consumables in their identification or registration, technical characteristics, use, operation, control, high or low, without compromising the reliability of the result.\n\n\nSUBTYPE (c) Some consumable equipment\/material is missing.\n\n\nSUBTYPE (d) Equipment instructions are missing or not located\/provided.\n\n\nSUBTYPE (e) There is equipment\/material in poor condition.\n\n\nSUBTYPE (f) There is a lack of reagents for testing and\/or for the disposal of positive samples with no alternative. The reagents are poorly controlled.\n\n\nTYPE 3 (Affects QUALIFICATION)\n\nNO SUBTYPES. They compromise the evidence of the qualification or training of the person(s) involved in the performance of the technique and\/or the interpretation of the result.\n\n\nTYPE 4 (Affects QUALITY ASSURANCE)\n\nSUBTYPE (a) They affect internal quality controls (ICCs) or external quality controls.\n\n\nSUBTYPE (b) They affect the corrective action plan (PAC) and\/or the management of deviations.\n\n\nSUBTYPE (c) They concern calibrations, verifications, maintenance, and\/or calibration labels, including the control of information or metrological traceability\n\n\nSUBTYPE (d) They affect the quality certificates of the equipment or technical sheets of the reagents.\n\n\nSUBTYPE (e) They affect the ISO certificates of suppliers.\n\n\nSUBTYPE (f) They affect the record of deviations.\n\n\nSUBTYPE (g) They affect the conservation of reagents.\n\n\nTYPE 5 (Affects RECORDS, FORMATS, AND OTHER DOCUMENTS)\n\nSUBTYPE (a) Unfilled forms. Data are missing, erroneous, or illegible. There is a different signature than the one indicated. Data are missing from the test report not included in the TYPE 1 deviation.\n\n\nSUBTYPE (b) Missing, not locating\/contributing, or not using current data record formats (FLS). Lack of use of the current primary data logging format.\n\n\nSUBTYPE (c) Missing, not located\/provided, or using technical instructions (ITLS) in force.\n\n\nSUBTYPE (d) The technical procedure (PTLS) in force and\/or the applicable regulations (E.U. Regulation) are missing, not located or provided, but it does not imply that the test is carried out incorrectly.\n\n\nSUBTYPE (e) There are deletions or unvalidated corrections. The space of a section in a format is used abusively. Ellipsis and\/or quotation marks are used.\n\n\nSUBTYPE (f) No control is maintained of current copies of documents and\/or obsolete documents or associated records\/documents.\n\n\nTYPE 6 (Affects OTHER components)\n\nSUBTYPE (a) They affect the facilities (availability of hot\/cold water, air conditioning, location, furniture, cleaning, or access).\n\n\nSUBTYPE (b) Improvement options are evident (e.g., in the identification of samples, in the management of information, use of better-quality consumables, completion, and custody of formats)\n\n\nSUBTYPE (c) They affect the elimination of positive samples (inadequate or non-existent containers, lack of reagents or system for it).\n\n\nSUBTYPE (d) The location of documents or files is not adequate or unknown. There are only equipment instructions in a language that is not Spanish and is unknown to the user.\n\n\n\nTo create a territorial map that could be easily understood, we utilized canonical relationships based on traits to visualize the differences between groups. To select the most relevant variables, we employed regularized forward stepwise multinomial logistic regression algorithms. To ensure fairness and prevent the impact of varying sample sizes on the classification accuracy, we applied regularization to the priors based on the group sizes, considering the prior probability of commercial software (SPSS Version 26.0 for Windows, SPSS, Inc., Chicago, IL, USA). This approach aimed to avoid any bias caused by unequal group sizes and to enhance the overall quality of the classification results.[11]\nThe same sample size contexts as as those used in this study across groups have been reported to be robust. In this regard, some authors have reported a minimum sample size of at least 20 observations for every four or five predictors, and the maximum number of independent variables should be n\u22122, where n is the sample size, to palliate possible distortion effects.[12][13]\nConsequently, the present study used a four- or five-times higher ratio between observations and independent variables than those described above, which renders discriminant approaches efficient. Multicollinearity analysis was run to ensure independence and a strong linear relationship across predictors. Variables chosen by the forward or backward stepwise selection methods were the same. Finally, the progressive forward selection method was performed, since it requires less time than the backward selection method.\nThe discriminant routine of the Classify package of SPSS version 26.0 software and the CDA routine of the Analyzing Data package of XSLTAT software (Addinsoft Pearson Edition 2014, Addinsoft, Paris, France) were used to perform CDA.\n\nMulticollinearity preliminary testing \nMulticollinearity refers to the linear relationship among two or more variables, which also means there is a lack of orthogonality among them. Multicollinearity analysis is crucial in improving the reliability of HACCP evaluations. It involves assessing the relationships between different variables or factors studied in HACCP. Detecting and quantifying multicollinearity helps in identifying highly correlated variables, which can lead to inaccurate or unstable results. By addressing multicollinearity, analysts can isolate the independent effects of each factor, resulting in a more accurate understanding of CCPs in the HACCP system. This, in turn, enhances the precision of risk assessments and strategies for ensuring food safety and quality. Different methods are available to detect multicollinearity, and the most widely used are variance inflation factor (VIF) and tolerance.[14] VIF is a ratio of variance in a regression model with multiple attributes divided by the variance of a model with only one attribute.[15] \nExplained more technically and exactly, multicollinearity occurs when k vectors lie in a subspace of dimension less than k. Multicollinearity can explain a data-poor condition, which is frequently found in observational studies in which the researchers do not interfere with the study. Thus, many investigators often confuse multicollinearity with correlation. Whereas correlation is the linear relationship between just two variables, multicollinearity can exist between two variables, or between one variable and the linear combination of the others. Therefore, correlation is considered a special case of multicollinearity. A high correlation implies multicollinearity, but not the other way around. \nBefore performing the statistical analyses per se, a multicollinearity analysis was run to discard potential strong linear relationships across explanatory variables and ensure data independence. In this way, before data manipulation, redundancy problems can be detected, which limits the effects of data noise and reduces the error term of discriminant models. The multicollinearity preliminary test helps identify unnecessary variables which should be excluded, preventing the overinflation of variance explanatory potential and type II error increase.[16] The VIF was used to determine the occurrence of multicollinearity issues. The literature reports a recommended maximum VIF value of 5.[17] On the other hand, tolerance (1 \u2212 R2) concerns the amount of variability in a certain independent variable that is not explained by the rest of the dependent variables considered (tolerance > 0.20).[18] The multicollinearity statistics routine of the describing data package of XSLTAT software (Addinsoft Pearson Edition 2021, Addinsoft, Paris, France) was used. The following formula was used to calculate the VIF:\n\n \n \n \n V\n I\n F\n =\n \n \n 1\n \n (\n \n 1\n \n −\n \n R\n \n 2\n \n \n )\n \n \n \n \n \n {\\displaystyle VIF={\\frac {1}{({1}-R^{2})}}}\n \n ,\nwhere R2 is the coefficient of determination of the regression equation.\nIn the present study, four rounds were needed to rule out all the potential factors involved in the occurrence of problems of multicollinearity, discarding one of the factors at each round.\n\nCanonical correlation dimension determination \nThe maximum number of canonical correlations between two sets of variables is the number of variables in the smaller set. The first canonical correlation usually explains most of the relationships between different sets. In any case, attention should be given to all canonical correlations, despite reporting of only the first dimension being common in previous research. When canonical correlation values are 0.30 or higher, they correspond to approximately 10% of the variance explained.\n\nCDA efficiency \nWilks\u2019 lambda test evaluates which variables may significantly contribute to the discriminant function. When Wilks\u2019 lambda approximates 0, the contribution of that variable to the discriminant function increases. \u03c72 tests the Wilks\u2019 lambda significance. If significance is below 0.05, the function can be concluded to explain the group adscription well.[19]\n\nCDA model reliability \nPillai\u2019s trace criterion, as the only acceptable test to be used in cases of unequal sample sizes, was used to test the assumption of equal covariance matrices in the discriminant function analysis.[20] Pillai\u2019s trace criterion was computed as a subroutine of the CDA routine of the Analyzing Data package of XSLTAT software (Addinsoft Pearson Edition 2014, Addinsoft, Paris, France). A significance of \u22640.05 is indicative of the set of predictors considered in the discriminant model being statistically significant. Pillai\u2019s trace criterion is argued to be the most robust statistic for general protection against departures from the multivariate residuals\u2019 normality and homogeneity of variance. The higher the observed value for Pillai\u2019s trace is, the stronger the evidence is that the set of predictors has a statistically significant effect on the values of the response variable. That is, the Pillai trace criterion shows potential linear differences in the combined quality-assurance-related traits across SL clustering groups.[21]\n\nCanonical coefficients and loading interpretation and spatial representation \nWhen CDA is implemented, a preliminary principal component analysis is used to reduce the overall variables into a few meaningful variables that contributed most to the variations between SLs. The use of the CDA determined the percentage assignment of SLs within its own group. Variables with a discriminant loading of \u2265|0.40| were considered substantive, indicating substantive discriminating variables. Using the stepwise procedure technique, non-significant variables were prevented from entering the function. Coefficients with large absolute values correspond to variables with greater discriminating ability.\nCanonical loadings represent the relationships between the original variables and the canonical variables derived from the data. They help identify which original variables contribute the most to the canonical correlation between datasets, shedding light on the most influential factors in content personalization. Canonical coefficients, on the other hand, provide a numerical representation of the strength and direction of these relationships, offering valuable insights into how specific variables impact content creation. By analyzing canonical loadings and coefficients in the HAPCC model, content creators and data scientists can optimize the personalization process, ensuring that content is finely tuned to meet the diverse needs and preferences of users.\nData were standardized following procedures reported by Manly and Alberto.[22] Then, squared Mahalanobis distances and principal component analysis were computed using the following formula:\n\n \n \n \n \n \n \n D\n \n \n \n i\n j\n \n \n 2\n \n \n =\n (\n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n i\n \n \n −\n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n j\n \n \n )\n \n \n C\n O\n V\n \n \n −\n 1\n \n \n (\n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n i\n \n \n −\n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n j\n \n \n )\n \n \n {\\displaystyle {\\mathsf {D}}_{ij}^{2}=({\\mathsf {\\bar {Y}}}_{i}-{\\mathsf {\\bar {Y}}}_{j}){COV}^{-1}({\\mathsf {\\bar {Y}}}_{i}-{\\mathsf {\\bar {Y}}}_{j})}\n \n ,\nwhere \n \n \n \n \n \n \n D\n \n \n \n i\n j\n \n \n 2\n \n \n \n \n {\\displaystyle {\\mathsf {D}}_{ij}^{2}}\n \n is the distance between population i and j; \n \n \n \n \n \n C\n O\n V\n \n \n −\n 1\n \n \n \n \n {\\displaystyle {COV}^{-1}}\n \n is the inverse of the covariance matrix of measured variable x; \n \n \n \n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n i\n \n \n \n \n {\\displaystyle {\\mathsf {\\bar {Y}}}_{i}}\n \n and \n \n \n \n \n \n \n \n \n Y\n ¯\n \n \n \n \n \n j\n \n \n \n \n {\\displaystyle {\\mathsf {\\bar {Y}}}_{j}}\n \n are the means of variable x in the ith and jth populations, respectively.\nIn our study, the results were spatially represented through the creation of a territorial map, which served as a visual representation of the geographical distribution of key variables. The squared Mahalanobis distance matrix was converted into a Euclidean distance matrix, and a dendrogram was built using the underweighted pair-group method arithmetic averages (UPGMA; Rovira i Virgili University, Tarragona, Spain) and the Phylogeny procedure of MEGA X 10.0.5 (Institute of Molecular Evolutionary Genetics, The Pennsylvania State University, State College, PA, USA).\nThe practical implications of the classification accuracy and Press\u2019 Q statistic are profound. A high classification accuracy signifies the reliability of our model in assigning each audit to the appropriate satellite laboratory, which is crucial in decision making processes. In contrast, a strong Press\u2019 Q statistic indicates that the model is capable of accurately predicting new, unseen data, thus enhancing its real-world applicability. These statistical metrics are invaluable for policy makers, urban planners, and other stakeholders, as they inform data-driven decisions that can have a lasting impact on territorial management and resource allocation. It is important to note that all relevant references to regulations, standards, and best practices were meticulously cited throughout the study to ensure the credibility and replicability of our findings.\n\nDiscriminant function cross-validation \nTo assess the accuracy of our discriminant functions, we employed a rigorous cross-validation procedure. This involved splitting the dataset into training and testing subsets, ensuring that the model\u2019s performance was evaluated on unseen data. Cross-validation helps mitigate overfitting and provides a robust estimation of the model\u2019s predictive power. Furthermore, we calculated Press\u2019 Q statistic, which measures the sum of squared prediction errors and provides a valuable assessment of model fit. High Q values indicate excellent model performance.\nAfterwards, to determine the probability that an audit of a SL of an unknown background belongs to a particular SL[23], the hit ratio parameter was computed. For this, the relative distance of each particular audit to the centroid of its closest SL was used. The hit ratio is the percentage of correctly classified audits that are correctly ascribed to the SL in which they were performed. The leave-one-out cross-validation procedure is used as a form of significance to consider if the discriminant functions can be validated. Classification accuracy is achieved when the classification rate is at least 25% higher than that obtained by chance.\nPress\u2019 Q statistic can support these results, since it can be used to compare the discriminating power of the cross-validated function, as follows:\n\n \n \n \n \n P\n \n \n r\n \n \n e\n \n \n s\n \n \n \n s\n \n \n \n ′\n \n \n \n \n Q\n \n =\n \n \n \n [\n \n \n \n n\n \n −\n \n (\n \n \n n\n \n \n ′\n \n \n K\n \n \n )\n \n ]\n \n \n 2\n \n \n \n \n \n \n n\n \n \n (\n \n \n K\n \n −\n 1\n \n )\n \n \n \n \n \n \n {\\displaystyle \\mathbf {P} \\mathbf {r} \\mathbf {e} \\mathbf {s} \\mathbf {s} ^{\\mathbf {\\prime } }\\mathbf {Q} ={\\frac {\\left\\lbrack {\\mathbf {n} -\\left(\\mathbf {n} \\mathbf {\\prime } \\mathbf {K} \\right)\\rbrack }^{2}\\right.}{\\mathbf {n} \\left({\\mathbf {K} -1}\\right)}}}\n \n ,\nwhere n is the number of observations in the sample; n\u2019 is the number of observations correctly classified; and K is the number of groups.\nThe value of Press\u2019 Q statistic must be compared with the critical value of 6.63 for \u03c72 with a degree of freedom at a significance of 0.01. When Press\u2019 Q exceeds the critical value of \u03c72 = 6.63, the cross-validated classification can be regarded as significantly better than chance.\n\nResults \nMulticollinearity prevention: Preliminary testing \nA summary of values for VIF and tolerance is reported in Table S1 of the Supplementary materials. Variables whose VIF values were \u22655 were discarded from further analyses. Thus, all traits were removed for the following statistical analyses except for auditor combination and risk description.\n\nCDA \nCDA model reliability \nA significant Pillai\u2019s trace criterion determined that discriminant canonical analysis was feasible (Pillai\u2019s trace criterion = 0.9830; F (Observed value) = 17.3469; F (Critical value) = 1.1766; df1 = 187; df2 = 33,055; p-value < 0.0001). As reported in Table 3, seven out of the 11 discriminant functions designed after the analyses presented a significant discriminant ability. The discriminatory power of the F1 function was high (eigenvalue of 0.5356; Figure 2), with \u224864% of the variance being explained by F1 and F2.\n\n\n\n\n\n\n\nTable 3. Eigenvalues and cumulative variability explanatory power of the eleven discriminant functions revealed through CDA.\n\n\nFunction\n\nEigenvalue\n\nDiscrimination (%)\n\nCumulative %\n\nBartlett's statistic\n\np-value\n\n\nF1\n\n0.5356\n\n41.9027\n\n41.9027\n\n3349.7551\n\n0.001\n\n\nF2\n\n0.2851\n\n22.3057\n\n64.2084\n\n2059.7344\n\n0.001\n\n\nF3\n\n0.1641\n\n12.8383\n\n77.0467\n\n1305.2909\n\n0.001\n\n\nF4\n\n0.1162\n\n9.0873\n\n86.1340\n\n848.2920\n\n0.001\n\n\nF5\n\n0.0847\n\n6.6227\n\n92.7567\n\n517.7911\n\n0.001\n\n\nF6\n\n0.0500\n\n3.9118\n\n96.6685\n\n273.3983\n\n0.001\n\n\nF7\n\n0.0303\n\n2.3667\n\n99.0352\n\n126.6540\n\n0.001\n\n\nF8\n\n0.0051\n\n0.3990\n\n99.4342\n\n37.0188\n\n0.605\n\n\nF9\n\n0.0038\n\n0.2998\n\n99.7339\n\n21.7190\n\n0.752\n\n\nF10\n\n0.0026\n\n0.2004\n\n99.9344\n\n10.2175\n\n0.855\n\n\nF11\n\n0.0008\n\n0.0656\n\n100.0000\n\n2.5222\n\n0.925\n\n\n\n Canonical coefficients, loading interpretation, and spatial representation \nVariables were ranked depending on their discriminating properties. For this, a test of equality of group means across SLs was used (Table 4). Lower values of Wilks\u2019 lambda and greater values of F indicate a better discriminating power, which translates into a better position in the rank. The analyses revealed that either auditor combination or risk description significantly contributes (p < 0.05) to the discriminant ability of significant discriminant functions.\n\n\n\n\n\n\n\nTable 4. Variable ranking by testing equality of group means across the SLs.\n\n\nVariable and levels\n\nLambda\n\nF\n\nDF1\n\nDF2\n\np-value\n\nRank\n\n\nAuditor B\n\n0.77506781\n\n51.30\n\n17\n\n3005\n\n<0.0001\n\n1\n\n\nAuditor A\n\n0.82025052\n\n38.74\n\n17\n\n3005\n\n<0.0001\n\n2\n\n\nNo Auditor\n\n0.82233103\n\n38.19\n\n17\n\n3005\n\n<0.0001\n\n3\n\n\nAuditors ABC\n\n0.86314001\n\n28.03\n\n17\n\n3005\n\n<0.0001\n\n4\n\n\nAuditor C\n\n0.89530283\n\n20.67\n\n17\n\n3005\n\n<0.0001\n\n5\n\n\nAuditors BC\n\n0.90745129\n\n18.03\n\n17\n\n3005\n\n<0.0001\n\n6\n\n\nAuditors AB\n\n0.90758069\n\n18.00\n\n17\n\n3005\n\n<0.0001\n\n7\n\n\nRisk Description-Insignificant\n\n0.97437082\n\n4.65\n\n17\n\n3005\n\n<0.0001\n\n8\n\n\nRisk Description-Inminent\n\n0.99205962\n\n1.41\n\n17\n\n3005\n\n0.11900639\n\n-\n\n\nRisk Description-High\n\n0.99254927\n\n1.33\n\n17\n\n3005\n\n0.16521084\n\n-\n\n\nRisk Description-Low\n\n0.99424836\n\n1.02\n\n17\n\n3005\n\n0.42913507\n\n-\n\n\nAuditors AC\n\n\n\n\n\n17\n\n3005\n\n\n\n-\n\n\nRisk Description-Medium\n\n\n\n\n\n17\n\n3005\n\n\n\n-\n\n\n\nStandardized discriminant coefficients measure the relative weight of auditor combinations and risk description in the discriminant functions (Figure 3).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 3. Standardized canonical discriminant function coefficients for each auditor combination and risk description level.\n\n\n\nOut of the seven significant discriminant functions (Table 3), only the two most relevant functions were used to build a standardized discriminant coefficient biplot, capturing the highest fraction of variance (Figure 3). In this regard, those variables whose vector extends further apart from the origin most relevantly contributed to the first (F1) and second (F2) discriminant functions.\nTable 5 suggests a clear differentiation among the SLs considered in the analyses. The relative position of centroids was determined through the substitution of the mean value for observations in each term of the first two discriminant functions (F1 and F2). The larger the distance between centroids, the better the predictive power of the canonical discriminant function in classifying observations. Table S2, Supplementary materials, reports the results obtained in the classification and leave-one-out cross-validation. A Press\u2019 Q value of 294.299 (N = 3023; n = 384; K = 18) was obtained. Therefore, it can be considered that predictions were significantly better than chance at 95%.[24]\n\r\n\n\n\n\n\n\n\n\nTable 5. Functions at the centroids for each SL across the main discriminant functions (F1 and F2).\n\n\nSatellite lab\n\nF1\n\nF2\n\n\nSL1\n\n\u22121.5638\n\n\u22120.9817\n\n\nSL13\n\n\u22120.9101\n\n0.3640\n\n\nSL14\n\n\u22120.1990\n\n\u22120.4345\n\n\nSL15\n\n0.5231\n\n0.0584\n\n\nSL19\n\n0.3335\n\n\u22120.0178\n\n\nSL20\n\n1.3449\n\n\u22120.1281\n\n\nSL21\n\n\u22120.1049\n\n0.3933\n\n\nSL22\n\n\u22120.3823\n\n\u22120.0923\n\n\nSL23\n\n\u22120.5063\n\n\u22120.3072\n\n\nSL24\n\n0.3813\n\n0.2272\n\n\nSL25\n\n1.0697\n\n\u22120.4016\n\n\nSL27\n\n\u22120.2419\n\n1.1385\n\n\nSL28\n\n\u22120.0553\n\n1.0039\n\n\nSL4\n\n\u22120.8039\n\n\u22120.2707\n\n\nSL6\n\n\u22120.7195\n\n0.2408\n\n\nSL7\n\n0.7550\n\n\u22120.9245\n\n\nSL8\n\n0.4435\n\n0.1898\n\n\nSL9\n\n0.6268\n\n\u22120.0634\n\n\n\nAdditionally, to evaluate the proximity between SLs, Mahalanobis distances were represented (Figure 4). Two main clusters are formed, the first represented by SL1, which was the most distant SL from the rest (Mahalanobis distance of 2.8820) when auditor combinations and risk description levels are considered, and the second subcluster comprising the seventeen remaining SLs (1.7180). A progressive segregation of SLs occurs within the second cluster into two closer subclusters. The first, at 0.4640 and comprising SL 7, 8, 9, 20, 25, 27, and 28, and a second one comprising the rest of the SLs at 0.2680. It is within the second subcluster that two sub-subclusters are formed. The first sub-subcluster, comprising SL 13, 19, 21, and 22 at 0.1460, accounts for two additional branches at 0.7500, and the second sub-subcluster (0.4380) comprises the rest of the SLs.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 4. Tree representing Mahalanobis distances across SLs. Classification was as follows; Breed (HHC: Handling Housing Conditions vs. NHHC: Non-Handling Housing Conditions), Establishment Type (PrS: Private Slaughterhouse, PuS: Public Slaughterhouse, and GMHS: Game Meat Handling Establishment), Audit Nature (OA: Own Audit, CRA: Client-requested Audit, and OFA: Official Audit).\n\n\n\nDiscussion \nThe previous results analyze the recommendations of the ICT at the time in terms of facilitating reliable test results when laboratories operate within a QMS and set the critical aspects of the analytical process, in this case when SLs are supervised by the official authority audits and do not work under their own accreditation. Also, the performances of different combinations of auditors reveal the extreme importance of training and qualification on audit guidelines.\nThe discussed findings and recommendations are highly relevant to the broader context of meat inspection, Trichinella spp. control, and QA in SLs. They emphasize the critical role of a QMS in ensuring the reliability of test results, which is pivotal for public health, surveillance, and trade in the meat industry. The research underscores that when SLs are supervised by official authority audits and do not operate under their accreditation, there is a pressing need to focus on technique procedures and adherence to established standards, as these aspects significantly impact the accuracy of Trichinella spp. testing.\nThe study acknowledges several limitations, such as variations in resource allocation and pressures on QMS activities between different satellite laboratories, which can influence the effectiveness of QA. Additionally, the research highlights the potential subjectivity in audit outcomes when conducted by a single auditor, emphasizing the importance of conducting audits simultaneously by at least two auditors for more consistent and reliable results.\nPractical recommendations based on the findings include implementing a training system for auditors to ensure uniformity in audit procedures and compliance with QMS standards. The study also suggests that internal on-site audits by the relevant authority should be conducted alongside internal audits by the testing laboratory and third-party external audits to enhance oversight and QA.\nIn summary, this study\u2019s contribution to the field of meat inspection and laboratory QA is significant, as it identifies key factors affecting the reliability of Trichinella spp. testing and offers practical solutions to address these issues. The emphasis on adherence to QMS standards, consistent auditing practices, and the importance of collaboration between different stakeholders in the meat industry underscores the importance of maintaining high-quality testing and inspection procedures to safeguard public health and trade standards.\nConsidering the classification of the obtained \u201cfindings\u201d for all analyzed aspects, all types (except Type 3) were distinguished by subtype \"a\" (either referring to OBSs or NCs) with the highest detection frequency. For instance, with respect to aspects affecting the technique\/information of the trial (Type 1), we observed that the most frequent finding during audits was regarding the following aspects: \n\nThe reliability of the result may be questioned by performing the necessary test or calculations incorrectly or without following the instructions indicated. Failure to follow the current Technical Procedure of the test. Use material and\/or equipment that is not supported, uncontrolled or deficient.\nThese aspects substantiate reliable test results that are essential for public health, surveillance, and trade. Gajadhar et al.[25] conclude that test results are reliable when laboratories operate within a valid QA program, which includes a validated test method, procedures to confirm laboratory capability, and protocols for documentation, reporting, and monitoring. When any of these aspects are more frequently detected, it is also expected that some other related practices (included within subtype \"b\" of the same type) also occur (Table S1, Supplementary material). In other words: when a failure to follow the current technical procedure of the test is the most frequent finding (Type 1, subtype \"a\"), it is also expected that some other deviations (either OBSs or NCs), such as the record of the correct temperature or digestion % of the samples during the procedure (Type 1, subtype \"b\"), also occurs. The above reasons establish Type 1 (subtype \"a\") as a CCP in the QMS.\nFor practices performed in SLs affecting the technique (Type 1), our results are in accordance with previous studies[26] establishing that the ISO standard provides the basic principles and properties of the essential steps of the method and highlights the CCPs of the procedure. In particular, the importance of the correct sequence of mixing of the digest fluid (CCP), as well as the reading of the sediment, is highlighted, since repeated clarification steps (as indicated in the regulation) can lead to larval loss, while unclear sediment can affect the readability of the digest fluid (CCP). Similarly, Marucci et al.[27] conclude that the heterogeneity of the performance of National Reference Laboratories could be related to both the technical expertise of the individuals performing the test and the equipment used for the test. The same authors[27] report that no significant association (p = 0.06) was found between the test sensitivity and the number of digestions performed. As previously indicated in the manuscript in terms of risk punctuation, it is worth mentioning that regardless of the technical method during the control of Trichinella spp., the greater the number of tests performed, the greater the probability of positive cases that can be detected.\nOverall, based on the collected information, it was found that the major deficiencies were related to processes and procedures, with a need to implement actions to ensure the reliability of the results from the perspective of the UNE-EN ISO\/IEC 17025 standard[6], rather than regarding the facilities or the execution of the assay itself. It is worth noting the effort, willingness, and professional commitment of the personnel performing the assay. Some SLs made attempts to address the deficiencies, either in terms of records or other documents, or in terms of temperature control or other verifications, with actions intended to provide reliability guarantees. However, these actions were considered insufficient to support the reliability of the results. It should be considered that designing, implementing, and maintaining a QMS like the one mentioned required dealing with a set of documentation (e.g., instructional procedures, reports, records) and actions (e.g., calibrations, verifications, maintenance, training, supplier evaluations, quality assurance, etc.) that had not typically been suggested for this type of facilities. Therefore, the need in this regard and the extensive documentation required explained the findings and justified the corrective measures that needed to be taken to address the deviations found.\nTo ensure that all requirements of good testing practices are met, a formal system of scheduled on-site audits of the testing laboratory is required in order to identify and document deficiencies in the QMS for testing, specify corrective actions, and achieve a satisfactory resolution.[7] Then, a standardized audit checklist should be used to ensure that all aspects of the QMS for Trichinella spp. testing are reviewed. Key elements should include facilities, personnel, training, equipment, quality manual (or similar), standard operating procedures (SOPs), and record keeping. In this sense, audit results may be used to evaluate if laboratory practices follow established procedures for Trichinella spp. inspection[28] and to assess the audit procedure itself. In this work, we have observed that the combination of auditors plays a key role in and shows a major influence on the overall outcome of each SL assessment in terms of detected practices that are not in compliance with the QMS. Based on the data shown in Table S1, Supplementary material, we detected that when the audit is carried out by a single auditor, the difference between SLs in terms of detected deviations increases, in contrast to what was observed when the audit was performed simultaneously by two auditors. This was detected in all situations, regardless of the combination of auditors and the auditors\u2019 partnership, with the exception of auditor C: when auditor C audited alone, no major differences were detected between the assessment of SLs. We hypothesize that when two auditors audit together, a consensus can be reached between both, causing no major differences to be detected between SLs, and thus, probably reducing the degree of subjectivity during audits.\nIn Trichinella spp. control, QA requires the use of reliable methods[28], not only to be applied at slaughterhouses and game-handling establishments, but also alongside audits. Therefore, we suggest that it is highly recommended that on-site audits carried out by the relevant authority are performed simultaneously at least by two auditors, and that an auditor training system should be implemented by the relevant public health authority, with the aim of guaranteeing\/assuring that audits are conducted homogeneously among auditors and in compliance with the QMS on Trichinella spp. control. A recent study based on data collected from 62 clinical audits also highlighted staff training in terms of performing audits.[29] In this regard, the assurance of adequate compliance and oversight lies with the relevant veterinary authority.[28] Furthermore, it has been suggested that internal on-site audits performed by the relevant authority should be conducted together with internal audits performed by the testing laboratory and with an external on-site audit carried out by a third party, which may be the pertinent national accrediting body for ISO\/IEC 17025-accredited testing laboratories.[7] Additionally, although audits should usually be conducted at least once annually[4], World Organisation for Animal Health (OIE) states that the frequency of audits should occur based on risk, considering the Trichinella spp. testing laboratory result.[28]\nThe prior Figure 4 suggests that establishments SL1 and SL4, notwithstanding their shared involvement in the porcine slaughtering industry, manifest distinctions in their operational paradigms and activity magnitude. SL1 represents an aged facility experiencing a gradual decline in activity levels. Within SL1, the establishment and execution of the QMS rested solely upon the shoulders of the senior veterinary officer (SVO). The SVO\u2019s responsibilities were distributed among multiple individuals on a rotating basis, thereby encompassing the full spectrum of QMS duties and extending beyond the scope of their official role. Additionally, the limited number of pig slaughters conducted at SL1 had a detrimental effect on the risk assessment pertaining to the detection of Trichinella larvae, as evidenced by the results of 475 tests.\nConversely, SL4 operated as a high-capacity slaughterhouse, wherein the administration of the QMS was undertaken collaboratively by SL4 itself and the SVO. In the context of SL4, the SVO focused exclusively on official duties. The substantial volume of slaughter conducted at SL4 exerted a commensurate influence on the associated risk, resulting in outcomes that are congruent with those of SL1, as indicated by 1,491 tests. This situation engenders a scenario marked by variances in resource allocation and the pressures exerted on QMS activities and management across the two establishments.\nIn both establishments, the auditing process was conducted by three auditors. However, one auditor conducted a maximum of two audits, whereas the remaining two auditors executed between four and five audits each. Notably, there were no statistically significant disparities in the number of audits performed between these two auditors. Specifically, one auditor conducted five site visits to SL1 and four to SL4, while the other auditor completed four visits to SL1 and an equal number to SL4. Additionally, both auditors conducted joint audits once at SL1 and twice at SL4. These empirical findings suggest that audit results were subjected to reasonably uniform interpretive criteria, with the discernible discrepancies between SL1 and SL4 primarily attributable to their distinct operational realities.\n\nConclusions \nAudit findings primarily target subtype \"a\" issues in Type 1, encompassing incorrect procedures, non-compliance with technical guidelines, and equipment inadequacies, underscoring the importance of reliable test results for public health and trade. Frequent subtype deviations often coincide with subtype \"b\" issues, emphasizing Type 1 as a CCP in the QMS. Adherence to ISO standards, focusing on CCPs like proper digest fluid mixing and sediment reading, is vital for slaughterhouse quality. The performance of National Reference Laboratories depends on personnel expertise, equipment quality, and test volume, impacting positive case detection. This study highlights deficiencies in processes and procedures, necessitating measures for result reliability, due to facilities\u2019 unfamiliarity with extensive QMS documentation. Our recommendations include dual-auditor on-site audits for consistency and reduced subjectivity, auditor training, and collaborative efforts to enhance oversight and compliance. The operational disparities between SL1 and SL4 result from their unique contexts.\n\nSupplementary materials \nThe following supporting information can be downloaded at https:\/\/www.mdpi.com\/article\/10.3390\/foods12224186\/s1: Supplementary Table S1: Outcomes of the twelve rounds of multicollinearity analysis to discard variable redundancies; Supplementary Table S2: Prior and posterior classification, membership probabilities, scores, and squared distances and leave-one-out (LOO) cross-validation outputs; Supplementary Table S3: Classification of deviations and finding examples obtained during audits.\n\n Abbreviations, acronyms, and initialisms \nCCP: critical control point\nCDA: canonical discriminant analysis\nEU: European Union\nHACCP: hazard analysis and critical control points\nNC: non-conformity\nOBS: observation\nOIE: World Organisation for Animal Health\nOVS: official veterinary service\nPHL: public health laboratory\nQA: quality assurance\nQMS: quality management system\nSL: sattelite laboratory\nSVO: senior veterinary officer\nVIF: variance inflation factor\nAcknowledgements \nThe authors would like to acknowledge Francisco Linares Moreno and Rafael C. Alonso Porras for their participation in this study. Their expertise and active involvement significantly enriched the research process, bringing depth and insights to our findings. Their unwavering commitment and collaborative efforts were pivotal in advancing our understanding of the subject matter.\n\nAuthor contributions \nConceptualization, F.J.N.-G., S.S., F.G.-V. and L.B.; Data curation, J.V.-P. and F.J.N.-G.; Formal analysis, F.J.N.-G. and F.G.-V.; Funding acquisition, S.S., F.G.-V. and L.B.; Investigation, J.V.-P., F.J.N.-G., S.S., F.G.-V. and L.B.; Methodology, J.V.-P., F.J.N.-G., S.S., F.G.-V. and L.B.; Project administration, S.S., F.G.-V. and L.B.; Resources, S.S., F.G.-V. and L.B.; Software, F.J.N.-G. and F.G.-V.; Supervision, S.S., F.G.-V. and L.B.; Validation, S.S., F.G.-V. and L.B.; Visualization, S.S. and F.G.-V.; Writing\u2014original draft, J.V.-P., F.J.N.-G., S.S. and L.B.; Writing\u2014review and editing, F.J.N.-G., S.S., F.G.-V. and L.B. All authors have read and agreed to the published version of the manuscript.\n\nFunding \nThe authors are grateful to PAIDI Research Group AGR-133 (Parasitology), AGR-202 (Comprehensive Food Quality), and AGR-218 (Breeding and Conservation of Genetic Resources of Domestic Animals) from the University of Cordoba (Andalusian Research System) for providing funds for the current study. The present research was carried out during the covering period of a Ram\u00f3n y Cajal Post-Doctoral Contract with the reference MCIN\/AEI\/10.13039\/501100011033 and the European Union \u201cNextGenerationEU\u201d\/PRTR.\n\nData availability \nThe data that support the findings of this study are available from the corresponding author upon reasonable request.\n\nConflict of interest \nThe authors declare no conflict of interest.\n\nReferences \n\n\n\u2191 Gottstein, Bruno; Pozio, Edoardo; N\u00f6ckler, Karsten (1 January 2009). \"Epidemiology, Diagnosis, Treatment, and Control of Trichinellosis\" (in en). 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In some cases important information was missing from the references, and that information was added. On multiple occasions, the original seems to inadvertently switch back and forth between Spanish and English acronyms and initialisms; for this version, all acronyms and initialisms were standardized to English.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\">https:\/\/www.limswiki.org\/index.php\/Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on food and nutrition informaticsLIMSwiki journal articles on quality managementNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 19 December 2023, at 18:44.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 475 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","82f7f2e44a6ed2d71c1cce8714435736_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp rootpage-Journal_A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:A quality assurance discrimination tool for the evaluation of satellite laboratory practice excellence in the context of European regulatory meat inspection for <i>Trichinella<\/i> spp.<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Trichinosis\" title=\"Trichinosis\" class=\"wiki-link\" data-key=\"dba299f8908059c0fe2fcf800f4b9f10\">Trichinellosis<\/a> is a parasitic foodborne zoonotic disease transmitted by ingestion of raw or undercooked meat containing the first larval stage (L1) of the nematode. To ensure the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a> and safety of food intended for human consumption, meat inspection for detection of <i>Trichinella<\/i> spp. larvae is a mandatory procedure per European Union (E.U.) regulations. The implementation of <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a> (QA) practices in <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratories<\/a> that are responsible for <i>Trichinella<\/i> spp. detection is essential given that the detection of this parasite is still a pivotal threat to public health, and it is included in List A of Annex I, Directive 2003\/99\/EC, which determines the agents to be monitored on a mandatory basis. \n<\/p><p>A <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_management_system\" title=\"Quality management system\" class=\"wiki-link\" data-key=\"dfecf3cd6f18d4a5e9ac49ca360b447d\">quality management system<\/a> (QMS) was applied to slaughterhouses and game-handling establishments conducting <i>Trichinella<\/i> spp. testing without official accreditation but under the supervision of the relevant authority. This study aims to retrospectively analyze the outcomes of implementing the QMS in slaughterhouses and game-handling establishments involved in <i>Trichinella<\/i> testing in southern Spain. Canonical discriminant analyses (CDAs) were performed to design a tool enabling the classification of satellite laboratories (SLs) while determining whether linear combinations of measures of QA-related traits describe within- and between-SL clustering patterns. The participation of two or more auditors improves the homogeneity of the results deriving from audits. However, when training expertise ensures that such levels of inter-\/intralaboratory homogeneity are reached, auditors can perform single audits and act as potential trainers for other auditors. Additionally, technical procedure issues were the primary risk factors identified during audits, which suggests that they should be considered a critical control point (CCP) (for purposes of <a href=\"https:\/\/www.limswiki.org\/index.php\/Hazard_analysis_and_critical_control_points\" title=\"Hazard analysis and critical control points\" class=\"wiki-link\" data-key=\"55f79542e5e9c65983e380fe6976a00b\">hazard analysis and critical control points<\/a> [HACCP] evaluations) within the QMS.\n<\/p><p>Keywords: trichinellosis, <i>Trichinella, laboratories, food safety, quality management system, canonical discriminant analysis<\/i>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Trichinosis\" title=\"Trichinosis\" class=\"wiki-link\" data-key=\"dba299f8908059c0fe2fcf800f4b9f10\">Trichinellosis<\/a> is a worldwide foodborne zoonotic disease caused by the ingestion of the helminth <i>Trichinella<\/i> spp. Pigs, both domestic and wild, are the main reservoirs, and human infection is primarily linked to the consumption of raw or undercooked meat from infected animals without veterinary inspection.<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> Currently, this parasite continues to pose a significant threat to public health, and it is included in List A of Annex I, Directive 2003\/99\/EC of the European Union (E.U.)<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup> on the surveillance of zoonoses and zoonotic agents, which determines the agents that have to be monitored on a mandatory basis. According to the E.U., 117 human cases have been reported during 2020, with 99 out of the 117 cases acquired within the E.U.<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup>\n<\/p><p>The detection of <i>Trichinella<\/i> spp. larvae during meat inspection is performed using the <a href=\"https:\/\/www.limswiki.org\/index.php\/Magnetic_stirrer\" title=\"Magnetic stirrer\" class=\"wiki-link\" data-key=\"2302d693df5a5adf30ad7fb3c75bb97d\">magnetic stirrer<\/a> method of the <a href=\"https:\/\/www.limswiki.org\/index.php\/Artificial_digestion\" title=\"Artificial digestion\" class=\"wiki-link\" data-key=\"7e1dc8abbb00c9bdc21ac357639a637b\">artificial digestion<\/a> technique. The method is considered the \"gold standard\" for <i>Trichinella<\/i> spp. detection, being \"capable of consistently detecting <i>Trichinella<\/i> larvae in meat at a level of sensitivity that is recognized to be effective for use in controlling animal infection and preventing human disease.\"<sup id=\"rdp-ebb-cite_ref-:0_4-0\" class=\"reference\"><a href=\"#cite_note-:0-4\">[4]<\/a><\/sup> Also, it is a mandatory procedure according to regulation EU 2015\/1375<sup id=\"rdp-ebb-cite_ref-:1_5-0\" class=\"reference\"><a href=\"#cite_note-:1-5\">[5]<\/a><\/sup>, which lays down specific rules on official controls for <i>Trichinella<\/i> in meat. This regulation also specifies equivalent techniques for <i>Trichinella<\/i> spp. larvae detection in analyzed <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a>.\n<\/p><p>As the International Commission on Trichinellosis (ICT) exposes<sup id=\"rdp-ebb-cite_ref-:0_4-1\" class=\"reference\"><a href=\"#cite_note-:0-4\">[4]<\/a><\/sup>, the implementation of <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_assurance\" title=\"Quality assurance\" class=\"wiki-link\" data-key=\"2ede4490f0ea707b14456f44439c0984\">quality assurance<\/a> (QA) practices in <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratories<\/a> performing <i>Trichinella<\/i> spp. detection is of the utmost importance, and the probability of detecting a positive case, if present, must be high (>95 or >99%) in order to ensure that there is a low or negligible risk of transmission to humans through the food chain.<sup id=\"rdp-ebb-cite_ref-:2_6-0\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> Laboratories accredited to <a href=\"https:\/\/www.limswiki.org\/index.php\/ISO\/IEC_17025\" title=\"ISO\/IEC 17025\" class=\"wiki-link\" data-key=\"0a89cebb34370dd860cce86881cbf29c\">ISO\/IEC 17025<\/a><sup id=\"rdp-ebb-cite_ref-:2_6-1\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> for <i>Trichinella<\/i> digestion testing are required to use validated diagnostic methods to confirm that the methods are fit for the intended use. In 2019, the ICT recommended the adoption of system-wide practices for QA.<sup id=\"rdp-ebb-cite_ref-:0_4-2\" class=\"reference\"><a href=\"#cite_note-:0-4\">[4]<\/a><\/sup> However, the minimum required standards for QA are determined and implemented by each local <a href=\"https:\/\/www.limswiki.org\/index.php\/Public_health\" title=\"Public health\" class=\"wiki-link\" data-key=\"81092e25c0bd359cedd1b9f9dc350c86\">public health<\/a> authority in E.U. member states. European regulation EU 625\/2017<sup id=\"rdp-ebb-cite_ref-:3_7-0\" class=\"reference\"><a href=\"#cite_note-:3-7\">[7]<\/a><\/sup>\u2014which places controls on testing and other official activities performed to ensure the application of food and feed law, as well as rules on animal health and welfare, plant health, and plant protection products\u2014states that the regulated control of <i>Trichinella<\/i> spp. larvae presence during meat inspection should be conducted in accredited laboratories designated by the competent authority. Furthermore, laboratories solely engaged in <i>Trichinella<\/i> spp. detection in meat using the methods outlined in EU 2015\/1375<sup id=\"rdp-ebb-cite_ref-:1_5-1\" class=\"reference\"><a href=\"#cite_note-:1-5\">[5]<\/a><\/sup> may be exempt from accreditation if they operate under the supervision of the competent authority.\n<\/p><p>The activities performed in internal laboratories (e.g., facilities within slaughterhouses and game-handling establishments) require continuous analysis and evaluation by the competent authority. Assessing <a href=\"https:\/\/www.limswiki.org\/index.php\/Critical_control_point\" title=\"Critical control point\" class=\"wiki-link\" data-key=\"e7fe3be22bf44424e695595825d72160\">critical control points<\/a> (CCPs)\u2014for example, by using a <a href=\"https:\/\/www.limswiki.org\/index.php\/Hazard_analysis_and_critical_control_points\" title=\"Hazard analysis and critical control points\" class=\"wiki-link\" data-key=\"55f79542e5e9c65983e380fe6976a00b\">hazard analysis and critical control points<\/a> (HACCP) approach\u2014involves various aspects such as personal training, diagnostic procedure performance, and document registration, among others. Additionally, continuous monitoring of each CCP is crucial for effective <i>Trichinella<\/i> spp. detection in infected meat.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup>\n<\/p><p>In 2011, the relevant authorities of the Andalusia region in southern Spain developed a <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_management_system\" title=\"Quality management system\" class=\"wiki-link\" data-key=\"dfecf3cd6f18d4a5e9ac49ca360b447d\">quality management system<\/a> (QMS) based on ISO\/IEC 17025.<sup id=\"rdp-ebb-cite_ref-:2_6-2\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> This QMS was applied to slaughterhouses and game-handling establishments conducting <i>Trichinella<\/i> spp. testing without official accreditation but under the supervision of the relevant authority. The QMS not only enabled the implementation of high standards in <i>Trichinella<\/i> spp. analysis but also facilitated the identification and correction of practices that did not meet the minimum required standards.\n<\/p><p><a href=\"https:\/\/www.limswiki.org\/index.php\/Canonical_discriminant_analysis\" class=\"mw-redirect wiki-link\" title=\"Canonical discriminant analysis\" data-key=\"4b8f76aac46fc1b89de8142277fa73ed\">Canonical discriminant analysis<\/a> (CDA) has been proposed as a statistical alternative to tailor HACCP plans that are to be applied to other substances and products for human consumption, such as bottled water, and allows for a comprehensive comparison of practices implemented across different facilities or brands. It provides valuable insights into the specific impact of combinations of factors, which can serve as pivotal points in discerning variations in practice application among these facilities or brands. Additionally, CDA facilitates the exploration of similarities and dissimilarities in the practices adopted by these facilities, unveiling clustering patterns that aid in effectively addressing potential issues.<sup id=\"rdp-ebb-cite_ref-:4_9-0\" class=\"reference\"><a href=\"#cite_note-:4-9\">[9]<\/a><\/sup> To enhance the reliability of these statistical tools, CDA methods are often complemented by cross-validation techniques. This approach not only helps in pinpointing potential problems along the operational chain but also aids in characterizing the nature and associated risks of these issues.<sup id=\"rdp-ebb-cite_ref-:4_9-1\" class=\"reference\"><a href=\"#cite_note-:4-9\">[9]<\/a><\/sup> CDA statistical tools are routinely followed by cross-validation techniques, which in turn can help identify issues along the chain and determine the potential nature of the issues and the risk that they imply.\n<\/p><p>Therefore, the objective of this study is to retrospectively analyze the outcomes of implementing the QMS in slaughterhouses and game-handling establishments involved in <i>Trichinella<\/i> testing in southern Spain. This translatable discriminant tool permits us to assess the development of QA practices across internal laboratories using DCA and the follow-up cross-validation methods. In turn, the outcomes of the present paper may provide an insight on which items or issues along the implementation of the QMS act as critical discriminant points across laboratories, thus assisting in the determination of the <i>Trichinella<\/i> risk that their occurrence and frequency may imply for the human food supply chain.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Material_and_methods\">Material and methods<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Study_units_and_period:_Satellite_laboratories_in_Southern_Spain\">Study units and period: Satellite laboratories in Southern Spain<\/span><\/h3>\n<p>The present study evaluates the implementation of a QMS based on UNE-EN ISO\/IEC 17025<sup id=\"rdp-ebb-cite_ref-:2_6-3\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> in a total of 18 satellite laboratories (SLs), seven of which were in the province of Cordoba (four in slaughterhouses and three in game-handling establishments) and 11 in the province of Seville (nine in slaughterhouses and two in game-handling establishments). A description of the particular activity carried out in each SL can be found in Table 1.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Description of the particular activity carried out by each satellite laboratory. The aforementioned establishments had the option to either implement UNE-EN ISO\/IEC 17025, obtain accreditation, and thus not be subject to the oversight of the competent authority, or choose the mentioned oversight, where the issuance of a compliant or non-compliant result must be validated by the official veterinary service (OVS) responsible for it. <sup>1<\/sup> Pig slaughter. <sup>2<\/sup> Handling of wild boar.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Satellite laboratory\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Activity\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse<sup>1<\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Game handling establishment<sup>2<\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Game handling establishment\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Game handling establishment\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL14\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL15\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL19\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Game handling establishment\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL21\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Game handling establishment\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL22\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL23\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL24\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL25\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL28\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Slaughterhouse\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>These SLs were chosen upon a selection criterion for the laboratory services based on the <a href=\"https:\/\/www.limswiki.org\/index.php\/Information\" title=\"Information\" class=\"wiki-link\" data-key=\"6300a14d9c2776dcca0999b5ed940e7d\">information<\/a> provided, either quantitatively (e.g., number of audits conducted over a period of time) or qualitatively, which refers to the interest that the laboratory services may have based on factors such as their activity (e.g., pig slaughter, game meat processing related to wild boars, or equine slaughter) or ownership (i.e., public or private). With this approach as a starting point, SLs were selected for which data from at least four internal audits were available from the period of 2012 to 2018.\n<\/p><p>The SLs, being facilities within slaughterhouses and game-handling establishments, function as internal laboratories of the establishment, equipped with the necessary materials and resources to perform the analytical determination in question. Ensuring the reliability of the result is an essential requirement for accepting its validity, and according to E.U.'s regulatory requirements found in EU 2015\/1375<sup id=\"rdp-ebb-cite_ref-:1_5-2\" class=\"reference\"><a href=\"#cite_note-:1-5\">[5]<\/a><\/sup>, it must be supported by a QMS as a guarantee of that reliability.\n<\/p><p>The establishments opted for the alternative of tutelage, and under the supervision of the official veterinary service (OVS), they initiated a process to adapt the facilities where the trichinellosis investigation was carried out and acquire the necessary materials and resources to adapt to a new approach to research on <i>Trichinella<\/i> spp. This was carried out under a QA system based on the UNE-EN ISO\/IEC 17025 standard<sup id=\"rdp-ebb-cite_ref-:2_6-4\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> and under the supervision of an accredited laboratory, designated as the reference laboratory (i.e., <a href=\"https:\/\/www.limswiki.org\/index.php\/Public_health_laboratory\" title=\"Public health laboratory\" class=\"wiki-link\" data-key=\"34ffb658cb79bf322c65efaad95996f5\">public health laboratory<\/a> or PHL), which depended on the competent authority. The designed system relied on the necessary participation of the economic operator (EO), the OVS, and the PHL, with the collaboration of all three being essential for the effective and proper functioning of the QMS.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Study_sample\">Study sample<\/span><\/h3>\n<p>A total of 3,023 obtained data points, relative to each deviation type and subtype, found for each SL per year from 2012 to 2018, were considered.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Audits\">Audits<\/span><\/h3>\n<p>The criteria considered were established in Commission Regulation No. 2075\/2005 of 5 December 2005<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup>, which established specific rules for official controls (audits) for the presence of <i>Trichinella<\/i> in meat, and its amendments, in force at the beginning of this initiative, and which was repealed by Regulation 2015\/1375.<sup id=\"rdp-ebb-cite_ref-:1_5-3\" class=\"reference\"><a href=\"#cite_note-:1-5\">[5]<\/a><\/sup>\n<\/p><p>A checklist of 36 questions or issues was used to obtain the basic information from each SL and assess their initial conditions before the implementation of the QMS.\n<\/p><p>The scope of the assessment consisted of evaluating aspects related to:\n<\/p>\n<ul><li>Facilities requirements: Premises where the investigation of <i>Trichinella<\/i> larvae is carried out.<\/li>\n<li>Technique requirements (assay): Investigation of <i>Trichinella<\/i> larvae via hydrochloric-peptic digestion in fresh meat samples from controlling housing pigs (except for animals coming from a holding or a compartment officially recognized as applying controlled housing conditions in accordance with Annex IV\u2014Article 3, (EU) 2015\/1375)<sup id=\"rdp-ebb-cite_ref-:1_5-4\" class=\"reference\"><a href=\"#cite_note-:1-5\">[5]<\/a><\/sup> and wild boars, using the method of collective sample digestion with a magnetic stirrer (reference method).<\/li>\n<li>Activity data and records: Existing records on the assay and its results, <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_(business)\" title=\"Quality (business)\" class=\"wiki-link\" data-key=\"c4ac43430d1c3a3a15d1255257aaea37\">quality<\/a>, and traceability.<\/li><\/ul>\n<p>For the QMS investigated here, exclusive documents (i.e., procedures) were developed, and others were designed for information recording purposes (i.e., formats), which had an individual coding but allowed for differentiation of each participating establishment. There was a necessary correlation between the aspects covered by the UNE-EN ISO\/IEC 17025 standard<sup id=\"rdp-ebb-cite_ref-:2_6-5\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup> and the developed documentation.\n<\/p><p>The audits were carried out using a checklist of requirements and a questionnaire regarding the dependencies and technical requirements. Subsequently, a report on the audit was prepared, documenting the observed findings. The findings could be categorized as deviations (if they represented non-compliance or potential non-compliance in the future, for example), and findings that could contribute to strengthening the QMS and be considered improvement actions could also be identified. Deviations could be classified as \"observations\" (OBSs) or \"non-conformities\" (NCs), with NCs having greater negative relevance in terms of the commitment to implementing the QMS. Both types required corrective actions, the effectiveness of which was subsequently verified, and all actions taken were documented.\n<\/p><p>The provided data inform about the situation of the SLs at the time of the audit and allow for an assessment of the degree of implementation and commitment to the QMS, as well as the reliability that should support the test result.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Deviation_classification_and_coding\">Deviation classification and coding<\/span><\/h3>\n<p>The classification of deviations was carried out to prioritize them based on importance (OBS vs. NC), aspect (technical requirement vs. management requirement), and affected content (execution of the technique; equipment, material, and reagents; qualification; QA; records, formats, and other documents and their control; and others). This classification aims to establish a system of grouping findings that facilitates their identification and possible significance regarding the reliability of the result, which is the main objective of the analysis, and coincides with Gajadhar <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:0_4-3\" class=\"reference\"><a href=\"#cite_note-:0-4\">[4]<\/a><\/sup>, who affirm that the quality and accuracy of <i>Trichinella<\/i> spp. testing is dependent on the proper performance of the digestion method, the appropriate sample collection based on the target species, adequate facilities, equipment and consumables, accurate verification of findings, and proper documentation of the results. Thus, the goal is to identify findings as potential deviations and classify them based on their importance within the affected area.\n<\/p><p>Out of all the recorded deviations, a classification into two main groups was performed to create a set of criteria that helps classify the findings. These two groups are based on whether they affect technical aspects (related to the technical execution and its immediate environment of influence) or management and documentation aspects (related to records and other documents, whose existence is necessary but does not compromise the actual execution of the test).\n<\/p><p>The documented findings may be related to technical requirements or management requirements and may have different intensities, measured by the degree to which they affect the validity of the activity results (whether they question their validity or not), reveal serious non-compliance with management requirements, or occur in isolated or sporadic instances without affecting the activity results or questioning the consistency in the provision of activities. Depending on the degree of impact, these deviations from regulatory requirements can be classified as OBSs or NCs. The decision to consider a finding an OB or NC, regardless of the affected scope (technical requirement or management requirement), depends on the significance or severity that the auditor believes it has in compromising the outcome.\n<\/p><p>After this initial classification, a classification was carried out based on the affected scope (technical requirement vs. management requirement), and within these scopes, different components can be affected. Six components were identified, which are linked to technique and\/or test information; equipment, materials, reagents; qualification; QA; records, forms, and other documents; and other components. This categorization of components allows for the establishment of the same number of types of findings (six types, identified by numbers \"1\" through \"6\"), which are further broken down into subtypes (up to a maximum of seven, identified by letters from \"a\" through \"g\"; type 3 does not have subtypes). The defined types include the following content, which provides guidance on the findings included within their scope. This classification allows for the differentiation of 12 possible OBSs and 12 possible NCs, each with their respective subtypes, which reflect the degree of compliance with the QMS and the intensity or scope of the described deviation. \n<\/p><p>Grouping the findings into categories based on areas and types facilitates their classification, ensuring a regulated criterion and improving uniformity in the evaluation of findings. This classification of deviations based on areas and types should be complemented by considering the importance of deviations from the perspective of issuing a valid and reliable result. It expands the dimension of the QMS beyond the analytical result itself, as not all types of findings equally affect the concepts of validity and reliability.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Canonical_discriminant_analysis\">Canonical discriminant analysis<\/span><\/h3>\n<p>CDAs were performed to design a tool that enables the classification of SLs while determining whether linear combinations of measures of QA-related traits describe within- and between-SL clustering patterns. The explanatory variables used for the present analyses were the essay number (number of essays seeking the detection of <i>Trichinella<\/i> larvae), positive levels (number of <i>Trichinella<\/i> larvae cases found), auditor combinations (random combinations of the three auditors performing the audits), deviation frequency description (description of the frequency of occurrence of each deviation, Figure 1), risk description (description of the risk depending on the punctuation obtained after each audit, Figure 2), and risk punctuation on a scale from insignificant (\u226416) to imminent (\u226565) (Figure 2). Additionally, the number of deviations classified per scope (either technical or management requirement), type (either OBS or NC), and each subtype (\"a\" to \"f\") were considered as well (Table 2). Each SL was considered on one level within the laboratory clustering criterion.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Villegas-P%C3%A9rez_Foods23_12-22.png\" class=\"image wiki-link\" data-key=\"27a07f57387f0e4dbcf9a79f89e9705a\"><img alt=\"Fig1 Villegas-P\u00e9rez Foods23 12-22.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/40\/Fig1_Villegas-P%C3%A9rez_Foods23_12-22.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> Deviation frequency description and number of cases in which deviations occurred.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Villegas-P%C3%A9rez_Foods23_12-22.png\" class=\"image wiki-link\" data-key=\"5462167f76040e6417cacb6dc9ef8b00\"><img alt=\"Fig2 Villegas-P\u00e9rez Foods23 12-22.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/9\/91\/Fig2_Villegas-P%C3%A9rez_Foods23_12-22.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> Risk description upon punctuation (between parentheses) and number of occasions in which such risk was faced.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Classification of deviations by type and subtype according to findings. Examples for each type of deviation are given in Table S3 as supplementary material.\n<\/td><\/tr>\n<tr>\n<th colspan=\"2\" style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Classification of findings affecting QMS requirements\n<\/th><\/tr>\n<tr>\n<td rowspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">DEVIATIONS (According to severity of the finding)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Observations (OBVs)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Non-conformities (NCs)\n<\/td><\/tr>\n<tr>\n<td rowspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">AMBIT (According to affected requirement)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Technical requirements (TRs)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Management requirements (MRs)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPES (Depending on affected component)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPES\n<\/td><\/tr>\n<tr>\n<td rowspan=\"2\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 1 (Affects TECHNIQUE and\/or trial information)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (a) The reliability of the result may be questioned by performing the necessary test or calculations incorrectly or without following the instructions indicated. Failure to follow the current technical procedure of the test. Use of material and\/or equipment that is not supported, uncontrolled, or deficient.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (b) Failure to record in the test report data that could only be known if they are collected in the test report (i.e., temperature, sieve weight, digestion %, identification of samples, reagents and\/or equipment if more than one is in use). Inappropriate use of registry spaces. Untraceable information exists.\n<\/td><\/tr>\n<tr>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 2 (Affects EQUIPMENT, MATERIAL, REAGENTS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (a) There is no maintenance and calibration (MANCA) plan\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (b) They affect equipment and\/or consumables in their identification or registration, technical characteristics, use, operation, control, high or low, without compromising the reliability of the result.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (c) Some consumable equipment\/material is missing.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (d) Equipment instructions are missing or not located\/provided.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (e) There is equipment\/material in poor condition.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (f) There is a lack of reagents for testing and\/or for the disposal of positive samples with no alternative. The reagents are poorly controlled.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 3 (Affects QUALIFICATION)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">NO SUBTYPES. They compromise the evidence of the qualification or training of the person(s) involved in the performance of the technique and\/or the interpretation of the result.\n<\/td><\/tr>\n<tr>\n<td rowspan=\"7\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 4 (Affects QUALITY ASSURANCE)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (a) They affect internal quality controls (ICCs) or external quality controls.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (b) They affect the corrective action plan (PAC) and\/or the management of deviations.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (c) They concern calibrations, verifications, maintenance, and\/or calibration labels, including the control of information or metrological traceability\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (d) They affect the quality certificates of the equipment or technical sheets of the reagents.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (e) They affect the ISO certificates of suppliers.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (f) They affect the record of deviations.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (g) They affect the conservation of reagents.\n<\/td><\/tr>\n<tr>\n<td rowspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 5 (Affects RECORDS, FORMATS, AND OTHER DOCUMENTS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (a) Unfilled forms. Data are missing, erroneous, or illegible. There is a different signature than the one indicated. Data are missing from the test report not included in the TYPE 1 deviation.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (b) Missing, not locating\/contributing, or not using current data record formats (FLS). Lack of use of the current primary data logging format.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (c) Missing, not located\/provided, or using technical instructions (ITLS) in force.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (d) The technical procedure (PTLS) in force and\/or the applicable regulations (E.U. Regulation) are missing, not located or provided, but it does not imply that the test is carried out incorrectly.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (e) There are deletions or unvalidated corrections. The space of a section in a format is used abusively. Ellipsis and\/or quotation marks are used.\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (f) No control is maintained of current copies of documents and\/or obsolete documents or associated records\/documents.\n<\/td><\/tr>\n<tr>\n<td rowspan=\"4\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">TYPE 6 (Affects OTHER components)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (a) They affect the facilities (availability of hot\/cold water, air conditioning, location, furniture, cleaning, or access).\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (b) Improvement options are evident (e.g., in the identification of samples, in the management of information, use of better-quality consumables, completion, and custody of formats)\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (c) They affect the elimination of positive samples (inadequate or non-existent containers, lack of reagents or system for it).\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SUBTYPE (d) The location of documents or files is not adequate or unknown. There are only equipment instructions in a language that is not Spanish and is unknown to the user.\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>To create a territorial map that could be easily understood, we utilized canonical relationships based on traits to visualize the differences between groups. To select the most relevant variables, we employed regularized forward stepwise multinomial logistic regression algorithms. To ensure fairness and prevent the impact of varying sample sizes on the classification accuracy, we applied regularization to the priors based on the group sizes, considering the prior probability of commercial software (SPSS Version 26.0 for Windows, SPSS, Inc., Chicago, IL, USA). This approach aimed to avoid any bias caused by unequal group sizes and to enhance the overall quality of the classification results.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup>\n<\/p><p>The same sample size contexts as as those used in this study across groups have been reported to be robust. In this regard, some authors have reported a minimum sample size of at least 20 observations for every four or five predictors, and the maximum number of independent variables should be <i>n<\/i>\u22122, where <i>n<\/i> is the sample size, to palliate possible distortion effects.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup>\n<\/p><p>Consequently, the present study used a four- or five-times higher ratio between observations and independent variables than those described above, which renders discriminant approaches efficient. Multicollinearity analysis was run to ensure independence and a strong linear relationship across predictors. Variables chosen by the forward or backward stepwise selection methods were the same. Finally, the progressive forward selection method was performed, since it requires less time than the backward selection method.\n<\/p><p>The discriminant routine of the Classify package of SPSS version 26.0 software and the CDA routine of the Analyzing Data package of XSLTAT software (Addinsoft Pearson Edition 2014, Addinsoft, Paris, France) were used to perform CDA.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Multicollinearity_preliminary_testing\">Multicollinearity preliminary testing<\/span><\/h4>\n<p>Multicollinearity refers to the linear relationship among two or more variables, which also means there is a lack of orthogonality among them. Multicollinearity analysis is crucial in improving the reliability of HACCP evaluations. It involves assessing the relationships between different variables or factors studied in HACCP. Detecting and quantifying multicollinearity helps in identifying highly correlated variables, which can lead to inaccurate or unstable results. By addressing multicollinearity, analysts can isolate the independent effects of each factor, resulting in a more accurate understanding of CCPs in the HACCP system. This, in turn, enhances the precision of risk assessments and strategies for ensuring food safety and quality. Different methods are available to detect multicollinearity, and the most widely used are variance inflation factor (VIF) and tolerance.<sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup> VIF is a ratio of variance in a regression model with multiple attributes divided by the variance of a model with only one attribute.<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup> \n<\/p><p>Explained more technically and exactly, multicollinearity occurs when <i>k<\/i> vectors lie in a subspace of dimension less than <i>k<\/i>. Multicollinearity can explain a data-poor condition, which is frequently found in observational studies in which the researchers do not interfere with the study. Thus, many investigators often confuse multicollinearity with correlation. Whereas correlation is the linear relationship between just two variables, multicollinearity can exist between two variables, or between one variable and the linear combination of the others. Therefore, correlation is considered a special case of multicollinearity. A high correlation implies multicollinearity, but not the other way around. \n<\/p><p>Before performing the statistical analyses <i>per se<\/i>, a multicollinearity analysis was run to discard potential strong linear relationships across explanatory variables and ensure data independence. In this way, before data manipulation, redundancy problems can be detected, which limits the effects of data noise and reduces the error term of discriminant models. The multicollinearity preliminary test helps identify unnecessary variables which should be excluded, preventing the overinflation of variance explanatory potential and type II error increase.<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup> The VIF was used to determine the occurrence of multicollinearity issues. The literature reports a recommended maximum VIF value of 5.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup> On the other hand, tolerance (1 \u2212 R<sup>2<\/sup>) concerns the amount of variability in a certain independent variable that is not explained by the rest of the dependent variables considered (tolerance > 0.20).<sup id=\"rdp-ebb-cite_ref-18\" class=\"reference\"><a href=\"#cite_note-18\">[18]<\/a><\/sup> The multicollinearity statistics routine of the describing data package of XSLTAT software (Addinsoft Pearson Edition 2021, Addinsoft, Paris, France) was used. The following formula was used to calculate the VIF:\n<\/p><p><span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/f4d9f4f601856bffc2e4038650de731b38b16f63\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -2.671ex; width:17.265ex; height:6.009ex;\" alt=\"{\\displaystyle VIF={\\frac {1}{({1}-R^{2})}}}\"\/><\/span>,\n<\/p><p>where R<sup>2<\/sup> is the coefficient of determination of the regression equation.\n<\/p><p>In the present study, four rounds were needed to rule out all the potential factors involved in the occurrence of problems of multicollinearity, discarding one of the factors at each round.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Canonical_correlation_dimension_determination\">Canonical correlation dimension determination<\/span><\/h4>\n<p>The maximum number of canonical correlations between two sets of variables is the number of variables in the smaller set. The first canonical correlation usually explains most of the relationships between different sets. In any case, attention should be given to all canonical correlations, despite reporting of only the first dimension being common in previous research. When canonical correlation values are 0.30 or higher, they correspond to approximately 10% of the variance explained.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"CDA_efficiency\">CDA efficiency<\/span><\/h4>\n<p>Wilks\u2019 lambda test evaluates which variables may significantly contribute to the discriminant function. When Wilks\u2019 lambda approximates 0, the contribution of that variable to the discriminant function increases. \u03c72 tests the Wilks\u2019 lambda significance. If significance is below 0.05, the function can be concluded to explain the group adscription well.<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"CDA_model_reliability\">CDA model reliability<\/span><\/h4>\n<p>Pillai\u2019s trace criterion, as the only acceptable test to be used in cases of unequal sample sizes, was used to test the assumption of equal covariance matrices in the discriminant function analysis.<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup> Pillai\u2019s trace criterion was computed as a subroutine of the CDA routine of the Analyzing Data package of XSLTAT software (Addinsoft Pearson Edition 2014, Addinsoft, Paris, France). A significance of \u22640.05 is indicative of the set of predictors considered in the discriminant model being statistically significant. Pillai\u2019s trace criterion is argued to be the most robust statistic for general protection against departures from the multivariate residuals\u2019 normality and homogeneity of variance. The higher the observed value for Pillai\u2019s trace is, the stronger the evidence is that the set of predictors has a statistically significant effect on the values of the response variable. That is, the Pillai trace criterion shows potential linear differences in the combined quality-assurance-related traits across SL clustering groups.<sup id=\"rdp-ebb-cite_ref-21\" class=\"reference\"><a href=\"#cite_note-21\">[21]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Canonical_coefficients_and_loading_interpretation_and_spatial_representation\">Canonical coefficients and loading interpretation and spatial representation<\/span><\/h4>\n<p>When CDA is implemented, a preliminary principal component analysis is used to reduce the overall variables into a few meaningful variables that contributed most to the variations between SLs. The use of the CDA determined the percentage assignment of SLs within its own group. Variables with a discriminant loading of \u2265|0.40| were considered substantive, indicating substantive discriminating variables. Using the stepwise procedure technique, non-significant variables were prevented from entering the function. Coefficients with large absolute values correspond to variables with greater discriminating ability.\n<\/p><p>Canonical loadings represent the relationships between the original variables and the canonical variables derived from the data. They help identify which original variables contribute the most to the canonical correlation between datasets, shedding light on the most influential factors in content personalization. Canonical coefficients, on the other hand, provide a numerical representation of the strength and direction of these relationships, offering valuable insights into how specific variables impact content creation. By analyzing canonical loadings and coefficients in the HAPCC model, content creators and data scientists can optimize the personalization process, ensuring that content is finely tuned to meet the diverse needs and preferences of users.\n<\/p><p>Data were standardized following procedures reported by Manly and Alberto.<sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup> Then, squared Mahalanobis distances and principal component analysis were computed using the following formula:\n<\/p><p><span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/c7d13bd17038b2367115037099099ee87f94c9dd\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -1.171ex; width:32.963ex; height:3.509ex;\" alt=\"{\\displaystyle {\\mathsf {D}}_{ij}^{2}=({\\mathsf {\\bar {Y}}}_{i}-{\\mathsf {\\bar {Y}}}_{j}){COV}^{-1}({\\mathsf {\\bar {Y}}}_{i}-{\\mathsf {\\bar {Y}}}_{j})}\"\/><\/span>,\n<\/p><p>where <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/4adda63676c7dfb0bf6b23d20878b87e1579cd6d\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -1.171ex; width:3.155ex; height:3.509ex;\" alt=\"{\\displaystyle {\\mathsf {D}}_{ij}^{2}}\"\/><\/span> is the distance between population i and j; <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/48a6b4f3696051fba12679fa7b8cf8f05ec5ba72\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -0.338ex; width:7.789ex; height:2.676ex;\" alt=\"{\\displaystyle {COV}^{-1}}\"\/><\/span> is the inverse of the covariance matrix of measured variable x; <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/9d28842da541d91abce1fe5b497dfe53c11e193e\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -0.671ex; width:2.35ex; height:2.843ex;\" alt=\"{\\displaystyle {\\mathsf {\\bar {Y}}}_{i}}\"\/><\/span> and <span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/8d0a994d5987a4761b095bf663c60121cdd19b2c\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -1.005ex; width:2.46ex; height:3.176ex;\" alt=\"{\\displaystyle {\\mathsf {\\bar {Y}}}_{j}}\"\/><\/span> are the means of variable x in the ith and jth populations, respectively.\n<\/p><p>In our study, the results were spatially represented through the creation of a territorial map, which served as a visual representation of the geographical distribution of key variables. The squared Mahalanobis distance matrix was converted into a Euclidean distance matrix, and a dendrogram was built using the underweighted pair-group method arithmetic averages (UPGMA; Rovira i Virgili University, Tarragona, Spain) and the Phylogeny procedure of MEGA X 10.0.5 (Institute of Molecular Evolutionary Genetics, The Pennsylvania State University, State College, PA, USA).\n<\/p><p>The practical implications of the classification accuracy and Press\u2019 Q statistic are profound. A high classification accuracy signifies the reliability of our model in assigning each audit to the appropriate satellite laboratory, which is crucial in decision making processes. In contrast, a strong Press\u2019 Q statistic indicates that the model is capable of accurately predicting new, unseen data, thus enhancing its real-world applicability. These statistical metrics are invaluable for policy makers, urban planners, and other stakeholders, as they inform data-driven decisions that can have a lasting impact on territorial management and resource allocation. It is important to note that all relevant references to regulations, standards, and best practices were meticulously cited throughout the study to ensure the credibility and replicability of our findings.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Discriminant_function_cross-validation\">Discriminant function cross-validation<\/span><\/h4>\n<p>To assess the accuracy of our discriminant functions, we employed a rigorous cross-validation procedure. This involved splitting the dataset into training and testing subsets, ensuring that the model\u2019s performance was evaluated on unseen data. Cross-validation helps mitigate overfitting and provides a robust estimation of the model\u2019s predictive power. Furthermore, we calculated Press\u2019 Q statistic, which measures the sum of squared prediction errors and provides a valuable assessment of model fit. High Q values indicate excellent model performance.\n<\/p><p>Afterwards, to determine the probability that an audit of a SL of an unknown background belongs to a particular SL<sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup>, the hit ratio parameter was computed. For this, the relative distance of each particular audit to the centroid of its closest SL was used. The hit ratio is the percentage of correctly classified audits that are correctly ascribed to the SL in which they were performed. The leave-one-out cross-validation procedure is used as a form of significance to consider if the discriminant functions can be validated. Classification accuracy is achieved when the classification rate is at least 25% higher than that obtained by chance.\n<\/p><p>Press\u2019 Q statistic can support these results, since it can be used to compare the discriminating power of the cross-validated function, as follows:\n<\/p><p><span class=\"mwe-math-element\"><span class=\"mwe-math-mathml-inline mwe-math-mathml-a11y\" style=\"display: none;\"><\/span><img src=\"https:\/\/en.wikipedia.org\/api\/rest_v1\/media\/math\/render\/svg\/7a53c00e0146328d266310ffa1d0149477ac2981\" class=\"mwe-math-fallback-image-inline\" aria-hidden=\"true\" style=\"vertical-align: -2.671ex; width:26.045ex; height:8.343ex;\" alt=\"{\\displaystyle \\mathbf {P} \\mathbf {r} \\mathbf {e} \\mathbf {s} \\mathbf {s} ^{\\mathbf {\\prime } }\\mathbf {Q} ={\\frac {\\left\\lbrack {\\mathbf {n} -\\left(\\mathbf {n} \\mathbf {\\prime } \\mathbf {K} \\right)\\rbrack }^{2}\\right.}{\\mathbf {n} \\left({\\mathbf {K} -1}\\right)}}}\"\/><\/span>,\n<\/p><p>where n is the number of observations in the sample; n\u2019 is the number of observations correctly classified; and K is the number of groups.\n<\/p><p>The value of Press\u2019 Q statistic must be compared with the critical value of 6.63 for \u03c72 with a degree of freedom at a significance of 0.01. When Press\u2019 Q exceeds the critical value of \u03c72 = 6.63, the cross-validated classification can be regarded as significantly better than chance.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Multicollinearity_prevention:_Preliminary_testing\">Multicollinearity prevention: Preliminary testing<\/span><\/h3>\n<p>A summary of values for VIF and tolerance is reported in Table S1 of the Supplementary materials. Variables whose VIF values were \u22655 were discarded from further analyses. Thus, all traits were removed for the following statistical analyses except for auditor combination and risk description.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"CDA\">CDA<\/span><\/h3>\n<h4><span class=\"mw-headline\" id=\"CDA_model_reliability_2\">CDA model reliability<\/span><\/h4>\n<p>A significant Pillai\u2019s trace criterion determined that discriminant canonical analysis was feasible (Pillai\u2019s trace criterion = 0.9830; F (Observed value) = 17.3469; F (Critical value) = 1.1766; df1 = 187; df2 = 33,055; <i>p<\/i>-value < 0.0001). As reported in Table 3, seven out of the 11 discriminant functions designed after the analyses presented a significant discriminant ability. The discriminatory power of the F1 function was high (eigenvalue of 0.5356; Figure 2), with \u224864% of the variance being explained by F1 and F2.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 3.<\/b> Eigenvalues and cumulative variability explanatory power of the eleven discriminant functions revealed through CDA.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Function\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Eigenvalue\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Discrimination (%)\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Cumulative %\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Bartlett's statistic\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\"><i>p<\/i>-value\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.5356\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">41.9027\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">41.9027\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3349.7551\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.2851\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">22.3057\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">64.2084\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2059.7344\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.1641\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12.8383\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">77.0467\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1305.2909\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.1162\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9.0873\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">86.1340\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">848.2920\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0847\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6.6227\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">92.7567\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">517.7911\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0500\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3.9118\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">96.6685\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">273.3983\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0303\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2.3667\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">99.0352\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">126.6540\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.001\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0051\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.3990\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">99.4342\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">37.0188\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.605\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0038\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.2998\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">99.7339\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">21.7190\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.752\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F10\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0026\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.2004\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">99.9344\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10.2175\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.855\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">F11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0008\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0656\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">100.0000\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2.5222\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.925\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span id=\"rdp-ebb-Canonical_coefficients,_loading_interpretation,_and_spatial_representation\"><\/span><span class=\"mw-headline\" id=\"Canonical_coefficients.2C_loading_interpretation.2C_and_spatial_representation\">Canonical coefficients, loading interpretation, and spatial representation<\/span><\/h4>\n<p>Variables were ranked depending on their discriminating properties. For this, a test of equality of group means across SLs was used (Table 4). Lower values of Wilks\u2019 lambda and greater values of F indicate a better discriminating power, which translates into a better position in the rank. The analyses revealed that either auditor combination or risk description significantly contributes (<i>p<\/i> < 0.05) to the discriminant ability of significant discriminant functions.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"7\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 4.<\/b> Variable ranking by testing equality of group means across the SLs.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Variable and levels\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Lambda\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">F\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">DF1\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">DF2\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\"><i>p<\/i>-value\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Rank\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditor B\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.77506781\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">51.30\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditor A\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.82025052\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">38.74\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">No Auditor\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.82233103\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">38.19\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditors ABC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.86314001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">28.03\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditor C\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.89530283\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20.67\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditors BC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.90745129\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18.03\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditors AB\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.90758069\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18.00\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Risk Description-Insignificant\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.97437082\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4.65\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><0.0001\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Risk Description-Inminent\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.99205962\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.41\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.11900639\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">-\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Risk Description-High\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.99254927\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.33\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.16521084\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">-\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Risk Description-Low\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.99424836\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.02\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.42913507\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">-\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Auditors AC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">-\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Risk Description-Medium\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3005\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">-\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Standardized discriminant coefficients measure the relative weight of auditor combinations and risk description in the discriminant functions (Figure 3).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Villegas-P%C3%A9rez_Foods23_12-22.png\" class=\"image wiki-link\" data-key=\"9d3c0234f4f0b442c5c5a70f07a494eb\"><img alt=\"Fig3 Villegas-P\u00e9rez Foods23 12-22.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/a3\/Fig3_Villegas-P%C3%A9rez_Foods23_12-22.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 3.<\/b> Standardized canonical discriminant function coefficients for each auditor combination and risk description level.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Out of the seven significant discriminant functions (Table 3), only the two most relevant functions were used to build a standardized discriminant coefficient biplot, capturing the highest fraction of variance (Figure 3). In this regard, those variables whose vector extends further apart from the origin most relevantly contributed to the first (F1) and second (F2) discriminant functions.\n<\/p><p>Table 5 suggests a clear differentiation among the SLs considered in the analyses. The relative position of centroids was determined through the substitution of the mean value for observations in each term of the first two discriminant functions (F1 and F2). The larger the distance between centroids, the better the predictive power of the canonical discriminant function in classifying observations. Table S2, Supplementary materials, reports the results obtained in the classification and leave-one-out cross-validation. A Press\u2019 Q value of 294.299 (<i>N<\/i> = 3023; n = 384; K = 18) was obtained. Therefore, it can be considered that predictions were significantly better than chance at 95%.<sup id=\"rdp-ebb-cite_ref-24\" class=\"reference\"><a href=\"#cite_note-24\">[24]<\/a><\/sup>\n<\/p><p><br \/>\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"3\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 5.<\/b> Functions at the centroids for each SL across the main discriminant functions (F1 and F2).\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">Satellite lab\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">F1\n<\/th>\n<th style=\"background-color:#e2e2e2; padding-left:10px; padding-right:10px;\">F2\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22121.5638\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.9817\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.9101\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.3640\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL14\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.1990\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.4345\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL15\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.5231\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.0584\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL19\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.3335\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.0178\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.3449\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.1281\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL21\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.1049\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.3933\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL22\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.3823\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.0923\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL23\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.5063\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.3072\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL24\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.3813\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.2272\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL25\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.0697\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.4016\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.2419\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.1385\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL28\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.0553\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1.0039\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.8039\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.2707\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.7195\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.2408\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.7550\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.9245\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.4435\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.1898\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">SL9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0.6268\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">\u22120.0634\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Additionally, to evaluate the proximity between SLs, Mahalanobis distances were represented (Figure 4). Two main clusters are formed, the first represented by SL1, which was the most distant SL from the rest (Mahalanobis distance of 2.8820) when auditor combinations and risk description levels are considered, and the second subcluster comprising the seventeen remaining SLs (1.7180). A progressive segregation of SLs occurs within the second cluster into two closer subclusters. The first, at 0.4640 and comprising SL 7, 8, 9, 20, 25, 27, and 28, and a second one comprising the rest of the SLs at 0.2680. It is within the second subcluster that two sub-subclusters are formed. The first sub-subcluster, comprising SL 13, 19, 21, and 22 at 0.1460, accounts for two additional branches at 0.7500, and the second sub-subcluster (0.4380) comprises the rest of the SLs.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig4_Villegas-P%C3%A9rez_Foods23_12-22.png\" class=\"image wiki-link\" data-key=\"804bd25f24728731a1ada9c47d1be85a\"><img alt=\"Fig4 Villegas-P\u00e9rez Foods23 12-22.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/16\/Fig4_Villegas-P%C3%A9rez_Foods23_12-22.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 4.<\/b> Tree representing Mahalanobis distances across SLs. Classification was as follows; Breed (HHC: Handling Housing Conditions vs. NHHC: Non-Handling Housing Conditions), Establishment Type (PrS: Private Slaughterhouse, PuS: Public Slaughterhouse, and GMHS: Game Meat Handling Establishment), Audit Nature (OA: Own Audit, CRA: Client-requested Audit, and OFA: Official Audit).<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<p>The previous results analyze the recommendations of the ICT at the time in terms of facilitating reliable test results when laboratories operate within a QMS and set the critical aspects of the analytical process, in this case when SLs are supervised by the official authority audits and do not work under their own accreditation. Also, the performances of different combinations of auditors reveal the extreme importance of training and qualification on audit guidelines.\n<\/p><p>The discussed findings and recommendations are highly relevant to the broader context of meat inspection, <i>Trichinella<\/i> spp. control, and QA in SLs. They emphasize the critical role of a QMS in ensuring the reliability of test results, which is pivotal for public health, surveillance, and trade in the meat industry. The research underscores that when SLs are supervised by official authority audits and do not operate under their accreditation, there is a pressing need to focus on technique procedures and adherence to established standards, as these aspects significantly impact the accuracy of <i>Trichinella<\/i> spp. testing.\n<\/p><p>The study acknowledges several limitations, such as variations in resource allocation and pressures on QMS activities between different satellite laboratories, which can influence the effectiveness of QA. Additionally, the research highlights the potential subjectivity in audit outcomes when conducted by a single auditor, emphasizing the importance of conducting audits simultaneously by at least two auditors for more consistent and reliable results.\n<\/p><p>Practical recommendations based on the findings include implementing a training system for auditors to ensure uniformity in audit procedures and compliance with QMS standards. The study also suggests that internal on-site audits by the relevant authority should be conducted alongside internal audits by the testing laboratory and third-party external audits to enhance oversight and QA.\n<\/p><p>In summary, this study\u2019s contribution to the field of meat inspection and laboratory QA is significant, as it identifies key factors affecting the reliability of <i>Trichinella<\/i> spp. testing and offers practical solutions to address these issues. The emphasis on adherence to QMS standards, consistent auditing practices, and the importance of collaboration between different stakeholders in the meat industry underscores the importance of maintaining high-quality testing and inspection procedures to safeguard public health and trade standards.\n<\/p><p>Considering the classification of the obtained \u201cfindings\u201d for all analyzed aspects, all types (except Type 3) were distinguished by subtype \"a\" (either referring to OBSs or NCs) with the highest detection frequency. For instance, with respect to aspects affecting the technique\/information of the trial (Type 1), we observed that the most frequent finding during audits was regarding the following aspects: \n<\/p>\n<blockquote><p>The reliability of the result may be questioned by performing the necessary test or calculations incorrectly or without following the instructions indicated. Failure to follow the current Technical Procedure of the test. Use material and\/or equipment that is not supported, uncontrolled or deficient.<\/p><\/blockquote>\n<p>These aspects substantiate reliable test results that are essential for public health, surveillance, and trade. Gajadhar <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup> conclude that test results are reliable when laboratories operate within a valid QA program, which includes a validated test method, procedures to confirm laboratory capability, and protocols for documentation, reporting, and monitoring. When any of these aspects are more frequently detected, it is also expected that some other related practices (included within subtype \"b\" of the same type) also occur (Table S1, Supplementary material). In other words: when a failure to follow the current technical procedure of the test is the most frequent finding (Type 1, subtype \"a\"), it is also expected that some other deviations (either OBSs or NCs), such as the record of the correct temperature or digestion % of the samples during the procedure (Type 1, subtype \"b\"), also occurs. The above reasons establish Type 1 (subtype \"a\") as a CCP in the QMS.\n<\/p><p>For practices performed in SLs affecting the technique (Type 1), our results are in accordance with previous studies<sup id=\"rdp-ebb-cite_ref-26\" class=\"reference\"><a href=\"#cite_note-26\">[26]<\/a><\/sup> establishing that the ISO standard provides the basic principles and properties of the essential steps of the method and highlights the CCPs of the procedure. In particular, the importance of the correct sequence of mixing of the digest fluid (CCP), as well as the reading of the sediment, is highlighted, since repeated clarification steps (as indicated in the regulation) can lead to larval loss, while unclear sediment can affect the readability of the digest fluid (CCP). Similarly, Marucci <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:5_27-0\" class=\"reference\"><a href=\"#cite_note-:5-27\">[27]<\/a><\/sup> conclude that the heterogeneity of the performance of National Reference Laboratories could be related to both the technical expertise of the individuals performing the test and the equipment used for the test. The same authors<sup id=\"rdp-ebb-cite_ref-:5_27-1\" class=\"reference\"><a href=\"#cite_note-:5-27\">[27]<\/a><\/sup> report that no significant association (<i>p<\/i> = 0.06) was found between the test sensitivity and the number of digestions performed. As previously indicated in the manuscript in terms of risk punctuation, it is worth mentioning that regardless of the technical method during the control of <i>Trichinella<\/i> spp., the greater the number of tests performed, the greater the probability of positive cases that can be detected.\n<\/p><p>Overall, based on the collected information, it was found that the major deficiencies were related to processes and procedures, with a need to implement actions to ensure the reliability of the results from the perspective of the UNE-EN ISO\/IEC 17025 standard<sup id=\"rdp-ebb-cite_ref-:2_6-6\" class=\"reference\"><a href=\"#cite_note-:2-6\">[6]<\/a><\/sup>, rather than regarding the facilities or the execution of the assay itself. It is worth noting the effort, willingness, and professional commitment of the personnel performing the assay. Some SLs made attempts to address the deficiencies, either in terms of records or other documents, or in terms of temperature control or other verifications, with actions intended to provide reliability guarantees. However, these actions were considered insufficient to support the reliability of the results. It should be considered that designing, implementing, and maintaining a QMS like the one mentioned required dealing with a set of documentation (e.g., instructional procedures, reports, records) and actions (e.g., calibrations, verifications, maintenance, training, supplier evaluations, quality assurance, etc.) that had not typically been suggested for this type of facilities. Therefore, the need in this regard and the extensive documentation required explained the findings and justified the corrective measures that needed to be taken to address the deviations found.\n<\/p><p>To ensure that all requirements of good testing practices are met, a formal system of scheduled on-site audits of the testing laboratory is required in order to identify and document deficiencies in the QMS for testing, specify corrective actions, and achieve a satisfactory resolution.<sup id=\"rdp-ebb-cite_ref-:3_7-1\" class=\"reference\"><a href=\"#cite_note-:3-7\">[7]<\/a><\/sup> Then, a standardized audit checklist should be used to ensure that all aspects of the QMS for <i>Trichinella<\/i> spp. testing are reviewed. Key elements should include facilities, personnel, training, equipment, quality manual (or similar), standard operating procedures (SOPs), and record keeping. In this sense, audit results may be used to evaluate if laboratory practices follow established procedures for <i>Trichinella<\/i> spp. inspection<sup id=\"rdp-ebb-cite_ref-:6_28-0\" class=\"reference\"><a href=\"#cite_note-:6-28\">[28]<\/a><\/sup> and to assess the audit procedure itself. In this work, we have observed that the combination of auditors plays a key role in and shows a major influence on the overall outcome of each SL assessment in terms of detected practices that are not in compliance with the QMS. Based on the data shown in Table S1, Supplementary material, we detected that when the audit is carried out by a single auditor, the difference between SLs in terms of detected deviations increases, in contrast to what was observed when the audit was performed simultaneously by two auditors. This was detected in all situations, regardless of the combination of auditors and the auditors\u2019 partnership, with the exception of auditor C: when auditor C audited alone, no major differences were detected between the assessment of SLs. We hypothesize that when two auditors audit together, a consensus can be reached between both, causing no major differences to be detected between SLs, and thus, probably reducing the degree of subjectivity during audits.\n<\/p><p>In <i>Trichinella<\/i> spp. control, QA requires the use of reliable methods<sup id=\"rdp-ebb-cite_ref-:6_28-1\" class=\"reference\"><a href=\"#cite_note-:6-28\">[28]<\/a><\/sup>, not only to be applied at slaughterhouses and game-handling establishments, but also alongside audits. Therefore, we suggest that it is highly recommended that on-site audits carried out by the relevant authority are performed simultaneously at least by two auditors, and that an auditor training system should be implemented by the relevant public health authority, with the aim of guaranteeing\/assuring that audits are conducted homogeneously among auditors and in compliance with the QMS on <i>Trichinella<\/i> spp. control. A recent study based on data collected from 62 clinical audits also highlighted staff training in terms of performing audits.<sup id=\"rdp-ebb-cite_ref-29\" class=\"reference\"><a href=\"#cite_note-29\">[29]<\/a><\/sup> In this regard, the assurance of adequate compliance and oversight lies with the relevant veterinary authority.<sup id=\"rdp-ebb-cite_ref-:6_28-2\" class=\"reference\"><a href=\"#cite_note-:6-28\">[28]<\/a><\/sup> Furthermore, it has been suggested that internal on-site audits performed by the relevant authority should be conducted together with internal audits performed by the testing laboratory and with an external on-site audit carried out by a third party, which may be the pertinent national accrediting body for ISO\/IEC 17025-accredited testing laboratories.<sup id=\"rdp-ebb-cite_ref-:3_7-2\" class=\"reference\"><a href=\"#cite_note-:3-7\">[7]<\/a><\/sup> Additionally, although audits should usually be conducted at least once annually<sup id=\"rdp-ebb-cite_ref-:0_4-4\" class=\"reference\"><a href=\"#cite_note-:0-4\">[4]<\/a><\/sup>, World Organisation for Animal Health (OIE) states that the frequency of audits should occur based on risk, considering the <i>Trichinella<\/i> spp. testing laboratory result.<sup id=\"rdp-ebb-cite_ref-:6_28-3\" class=\"reference\"><a href=\"#cite_note-:6-28\">[28]<\/a><\/sup>\n<\/p><p>The prior Figure 4 suggests that establishments SL1 and SL4, notwithstanding their shared involvement in the porcine slaughtering industry, manifest distinctions in their operational paradigms and activity magnitude. SL1 represents an aged facility experiencing a gradual decline in activity levels. Within SL1, the establishment and execution of the QMS rested solely upon the shoulders of the senior veterinary officer (SVO). The SVO\u2019s responsibilities were distributed among multiple individuals on a rotating basis, thereby encompassing the full spectrum of QMS duties and extending beyond the scope of their official role. Additionally, the limited number of pig slaughters conducted at SL1 had a detrimental effect on the risk assessment pertaining to the detection of Trichinella larvae, as evidenced by the results of 475 tests.\n<\/p><p>Conversely, SL4 operated as a high-capacity slaughterhouse, wherein the administration of the QMS was undertaken collaboratively by SL4 itself and the SVO. In the context of SL4, the SVO focused exclusively on official duties. The substantial volume of slaughter conducted at SL4 exerted a commensurate influence on the associated risk, resulting in outcomes that are congruent with those of SL1, as indicated by 1,491 tests. This situation engenders a scenario marked by variances in resource allocation and the pressures exerted on QMS activities and management across the two establishments.\n<\/p><p>In both establishments, the auditing process was conducted by three auditors. However, one auditor conducted a maximum of two audits, whereas the remaining two auditors executed between four and five audits each. Notably, there were no statistically significant disparities in the number of audits performed between these two auditors. Specifically, one auditor conducted five site visits to SL1 and four to SL4, while the other auditor completed four visits to SL1 and an equal number to SL4. Additionally, both auditors conducted joint audits once at SL1 and twice at SL4. These empirical findings suggest that audit results were subjected to reasonably uniform interpretive criteria, with the discernible discrepancies between SL1 and SL4 primarily attributable to their distinct operational realities.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions\">Conclusions<\/span><\/h2>\n<p>Audit findings primarily target subtype \"a\" issues in Type 1, encompassing incorrect procedures, non-compliance with technical guidelines, and equipment inadequacies, underscoring the importance of reliable test results for public health and trade. Frequent subtype deviations often coincide with subtype \"b\" issues, emphasizing Type 1 as a CCP in the QMS. Adherence to ISO standards, focusing on CCPs like proper digest fluid mixing and sediment reading, is vital for slaughterhouse quality. The performance of National Reference Laboratories depends on personnel expertise, equipment quality, and test volume, impacting positive case detection. This study highlights deficiencies in processes and procedures, necessitating measures for result reliability, due to facilities\u2019 unfamiliarity with extensive QMS documentation. Our recommendations include dual-auditor on-site audits for consistency and reduced subjectivity, auditor training, and collaborative efforts to enhance oversight and compliance. The operational disparities between SL1 and SL4 result from their unique contexts.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Supplementary_materials\">Supplementary materials<\/span><\/h2>\n<p>The following supporting information can be downloaded at <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/article\/10.3390\/foods12224186\/s1\" target=\"_blank\">https:\/\/www.mdpi.com\/article\/10.3390\/foods12224186\/s1<\/a>: Supplementary Table S1: Outcomes of the twelve rounds of multicollinearity analysis to discard variable redundancies; Supplementary Table S2: Prior and posterior classification, membership probabilities, scores, and squared distances and leave-one-out (LOO) cross-validation outputs; Supplementary Table S3: Classification of deviations and finding examples obtained during audits.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>CCP<\/b>: critical control point<\/li>\n<li><b>CDA<\/b>: canonical discriminant analysis<\/li>\n<li><b>EU<\/b>: European Union<\/li>\n<li><b>HACCP<\/b>: hazard analysis and critical control points<\/li>\n<li><b>NC<\/b>: non-conformity<\/li>\n<li><b>OBS<\/b>: observation<\/li>\n<li><b>OIE<\/b>: World Organisation for Animal Health<\/li>\n<li><b>OVS<\/b>: official veterinary service<\/li>\n<li><b>PHL<\/b>: public health laboratory<\/li>\n<li><b>QA<\/b>: quality assurance<\/li>\n<li><b>QMS<\/b>: quality management system<\/li>\n<li><b>SL<\/b>: sattelite laboratory<\/li>\n<li><b>SVO<\/b>: senior veterinary officer<\/li>\n<li><b>VIF<\/b>: variance inflation factor<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The authors would like to acknowledge Francisco Linares Moreno and Rafael C. Alonso Porras for their participation in this study. Their expertise and active involvement significantly enriched the research process, bringing depth and insights to our findings. Their unwavering commitment and collaborative efforts were pivotal in advancing our understanding of the subject matter.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>Conceptualization, F.J.N.-G., S.S., F.G.-V. and L.B.; Data curation, J.V.-P. and F.J.N.-G.; Formal analysis, F.J.N.-G. and F.G.-V.; Funding acquisition, S.S., F.G.-V. and L.B.; Investigation, J.V.-P., F.J.N.-G., S.S., F.G.-V. and L.B.; Methodology, J.V.-P., F.J.N.-G., S.S., F.G.-V. and L.B.; Project administration, S.S., F.G.-V. and L.B.; Resources, S.S., F.G.-V. and L.B.; Software, F.J.N.-G. and F.G.-V.; Supervision, S.S., F.G.-V. and L.B.; Validation, S.S., F.G.-V. and L.B.; Visualization, S.S. and F.G.-V.; Writing\u2014original draft, J.V.-P., F.J.N.-G., S.S. and L.B.; Writing\u2014review and editing, F.J.N.-G., S.S., F.G.-V. and L.B. All authors have read and agreed to the published version of the manuscript.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>The authors are grateful to PAIDI Research Group AGR-133 (Parasitology), AGR-202 (Comprehensive Food Quality), and AGR-218 (Breeding and Conservation of Genetic Resources of Domestic Animals) from the University of Cordoba (Andalusian Research System) for providing funds for the current study. The present research was carried out during the covering period of a Ram\u00f3n y Cajal Post-Doctoral Contract with the reference MCIN\/AEI\/10.13039\/501100011033 and the European Union \u201cNextGenerationEU\u201d\/PRTR.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Data_availability\">Data availability<\/span><\/h3>\n<p>The data that support the findings of this study are available from the corresponding author upon reasonable request.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflict_of_interest\">Conflict of interest<\/span><\/h3>\n<p>The authors declare no conflict of interest.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gottstein, Bruno; Pozio, Edoardo; N\u00f6ckler, Karsten (1 January 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/journals.asm.org\/doi\/10.1128\/CMR.00026-08\" target=\"_blank\">\"Epidemiology, Diagnosis, Treatment, and Control of Trichinellosis\"<\/a> (in en). <i>Clinical Microbiology Reviews<\/i> <b>22<\/b> (1): 127\u2013145. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1128%2FCMR.00026-08\" target=\"_blank\">10.1128\/CMR.00026-08<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0893-8512\" target=\"_blank\">0893-8512<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC2620635\/\" target=\"_blank\">PMC2620635<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/19136437\" target=\"_blank\">19136437<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/journals.asm.org\/doi\/10.1128\/CMR.00026-08\" target=\"_blank\">https:\/\/journals.asm.org\/doi\/10.1128\/CMR.00026-08<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Epidemiology%2C+Diagnosis%2C+Treatment%2C+and+Control+of+Trichinellosis&rft.jtitle=Clinical+Microbiology+Reviews&rft.aulast=Gottstein&rft.aufirst=Bruno&rft.au=Gottstein%2C%26%2332%3BBruno&rft.au=Pozio%2C%26%2332%3BEdoardo&rft.au=N%C3%B6ckler%2C%26%2332%3BKarsten&rft.date=1+January+2009&rft.volume=22&rft.issue=1&rft.pages=127%E2%80%93145&rft_id=info:doi\/10.1128%2FCMR.00026-08&rft.issn=0893-8512&rft_id=info:pmc\/PMC2620635&rft_id=info:pmid\/19136437&rft_id=https%3A%2F%2Fjournals.asm.org%2Fdoi%2F10.1128%2FCMR.00026-08&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-2\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-2\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">European Parliament and the Council of the European Union (12 December 2003). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/eur-lex.europa.eu\/legal-content\/EN\/TXT\/?uri=CELEX%3A32003L0099&qid=1700487359988\" target=\"_blank\">\"Directive 2003\/99\/EC of the European Parliament and of the Council of 17 November 2003 on the monitoring of zoonoses and zoonotic agents, amending Council Decision 90\/424\/EEC and repealing Council Directive 92\/117\/EEC\"<\/a>. <i>EUR-Lex<\/i>. 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Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Commission+Implementing+Regulation+%28EU%29+2015%2F1375+of+10+August+2015+laying+down+specific+rules+on+official+controls+for+Trichinella+in+meat+%28codification%29+%28Text+with+EEA+relevance%29&rft.atitle=EUR-Lex&rft.aulast=European+Commission&rft.au=European+Commission&rft.date=10+August+2015&rft.pub=European+Union&rft_id=https%3A%2F%2Feur-lex.europa.eu%2Flegal-content%2FEN%2FTXT%2F%3Furi%3Dcelex%253A32015R1375&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-6\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_6-0\">6.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-1\">6.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-2\">6.2<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-3\">6.3<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-4\">6.4<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-5\">6.5<\/a><\/sup> <sup><a href=\"#cite_ref-:2_6-6\">6.6<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.iso.org\/standard\/66912.html\" target=\"_blank\">\"ISO\/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories\"<\/a>. 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Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=ISO%2FIEC+17025%3A2017+General+requirements+for+the+competence+of+testing+and+calibration+laboratories&rft.atitle=&rft.date=November+2017&rft.pub=International+Organization+for+Standardization&rft_id=https%3A%2F%2Fwww.iso.org%2Fstandard%2F66912.html&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-7\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_7-0\">7.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_7-1\">7.1<\/a><\/sup> <sup><a href=\"#cite_ref-:3_7-2\">7.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Alban, L.; Pozio, E.; Boes, J.; Boireau, P.; Bou\u00e9, F.; Claes, M.; Cook, A.J.C.; Dorny, P. <i>et al.<\/i> (1 May 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167587711000390\" target=\"_blank\">\"Towards a standardised surveillance for Trichinella in the European Union\"<\/a> (in en). <i>Preventive Veterinary Medicine<\/i> <b>99<\/b> (2-4): 148\u2013160. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.prevetmed.2011.02.008\" target=\"_blank\">10.1016\/j.prevetmed.2011.02.008<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167587711000390\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0167587711000390<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Towards+a+standardised+surveillance+for+Trichinella+in+the+European+Union&rft.jtitle=Preventive+Veterinary+Medicine&rft.aulast=Alban&rft.aufirst=L.&rft.au=Alban%2C%26%2332%3BL.&rft.au=Pozio%2C%26%2332%3BE.&rft.au=Boes%2C%26%2332%3BJ.&rft.au=Boireau%2C%26%2332%3BP.&rft.au=Bou%C3%A9%2C%26%2332%3BF.&rft.au=Claes%2C%26%2332%3BM.&rft.au=Cook%2C%26%2332%3BA.J.C.&rft.au=Dorny%2C%26%2332%3BP.&rft.au=Enemark%2C%26%2332%3BH.L.&rft.date=1+May+2011&rft.volume=99&rft.issue=2-4&rft.pages=148%E2%80%93160&rft_id=info:doi\/10.1016%2Fj.prevetmed.2011.02.008&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0167587711000390&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">European Parliament and the Council of the European Union (15 March 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/eur-lex.europa.eu\/eli\/reg\/2017\/625\/oj\" target=\"_blank\">\"Regulation (EU) 2017\/625 of the European Parliament and of the Council of 15 March 2017 on official controls and other official activities performed to ensure the application of food and feed law, rules on animal health and welfare, plant health and plant protection products, amending Regulations (EC) No 999\/2001, (EC) No 396\/2005, (EC) No 1069\/2009, (EC) No 1107\/2009, (EU) No 1151\/2012, (EU) No 652\/2014, (EU) 2016\/429 and (EU) 2016\/2031 of the European Parliament and of the Council, Council Regulations (EC) No 1\/2005 and (EC) No 1099\/2009 and Council Directives 98\/58\/EC, 1999\/74\/EC, 2007\/43\/EC, 2008\/119\/EC and 2008\/120\/EC, and repealing Regulations (EC) No 854\/2004 and (EC) No 882\/2004 of the European Parliament and of the Council, Council Directives 89\/608\/EEC, 89\/662\/EEC, 90\/425\/EEC, 91\/496\/EEC, 96\/23\/EC, 96\/93\/EC and 97\/78\/EC and Council Decision 92\/438\/EEC (Official Controls Regulation)Text with EEA relevance\"<\/a>. <i>EUR-Lex<\/i>. European Union<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/eur-lex.europa.eu\/eli\/reg\/2017\/625\/oj\" target=\"_blank\">https:\/\/eur-lex.europa.eu\/eli\/reg\/2017\/625\/oj<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Regulation+%28EU%29+2017%2F625+of+the+European+Parliament+and+of+the+Council+of+15+March+2017+on+official+controls+and+other+official+activities+performed+to+ensure+the+application+of+food+and+feed+law%2C+rules+on+animal+health+and+welfare%2C+plant+health+and+plant+protection+products%2C+amending+Regulations+%28EC%29+No+999%2F2001%2C+%28EC%29+No+396%2F2005%2C+%28EC%29+No+1069%2F2009%2C+%28EC%29+No+1107%2F2009%2C+%28EU%29+No+1151%2F2012%2C+%28EU%29+No+652%2F2014%2C+%28EU%29+2016%2F429+and+%28EU%29+2016%2F2031+of+the+European+Parliament+and+of+the+Council%2C+Council+Regulations+%28EC%29+No+1%2F2005+and+%28EC%29+No+1099%2F2009+and+Council+Directives+98%2F58%2FEC%2C+1999%2F74%2FEC%2C+2007%2F43%2FEC%2C+2008%2F119%2FEC+and+2008%2F120%2FEC%2C+and+repealing+Regulations+%28EC%29+No+854%2F2004+and+%28EC%29+No+882%2F2004+of+the+European+Parliament+and+of+the+Council%2C+Council+Directives+89%2F608%2FEEC%2C+89%2F662%2FEEC%2C+90%2F425%2FEEC%2C+91%2F496%2FEEC%2C+96%2F23%2FEC%2C+96%2F93%2FEC+and+97%2F78%2FEC+and+Council+Decision+92%2F438%2FEEC+%28Official+Controls+Regulation%29Text+with+EEA+relevance&rft.atitle=EUR-Lex&rft.aulast=European+Parliament+and+the+Council+of+the+European+Union&rft.au=European+Parliament+and+the+Council+of+the+European+Union&rft.date=15+March+2017&rft.pub=European+Union&rft_id=https%3A%2F%2Feur-lex.europa.eu%2Feli%2Freg%2F2017%2F625%2Foj&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-9\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_9-0\">9.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_9-1\">9.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gamble, H.R; Bessonov, A.S; Cuperlovic, K; Gajadhar, A.A; van Knapen, F; Noeckler, K; Schenone, H; Zhu, X (1 December 2000). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170000354X\" target=\"_blank\">\"International Commission on Trichinellosis: Recommendations on methods for the control of Trichinella in domestic and wild animals intended for human consumption\"<\/a> (in en). <i>Veterinary Parasitology<\/i> <b>93<\/b> (3-4): 393\u2013408. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2FS0304-4017%2800%2900354-X\" target=\"_blank\">10.1016\/S0304-4017(00)00354-X<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170000354X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170000354X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=International+Commission+on+Trichinellosis%3A+Recommendations+on+methods+for+the+control+of+Trichinella+in+domestic+and+wild+animals+intended+for+human+consumption&rft.jtitle=Veterinary+Parasitology&rft.aulast=Gamble&rft.aufirst=H.R&rft.au=Gamble%2C%26%2332%3BH.R&rft.au=Bessonov%2C%26%2332%3BA.S&rft.au=Cuperlovic%2C%26%2332%3BK&rft.au=Gajadhar%2C%26%2332%3BA.A&rft.au=van+Knapen%2C%26%2332%3BF&rft.au=Noeckler%2C%26%2332%3BK&rft.au=Schenone%2C%26%2332%3BH&rft.au=Zhu%2C%26%2332%3BX&rft.date=1+December+2000&rft.volume=93&rft.issue=3-4&rft.pages=393%E2%80%93408&rft_id=info:doi\/10.1016%2FS0304-4017%2800%2900354-X&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS030440170000354X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Commission of the European Communities (5 December 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/eur-lex.europa.eu\/eli\/reg\/2005\/2075\/oj\" target=\"_blank\">\"Commission Regulation (EC) No 2075\/2005 of 5 December 2005 laying down specific rules on official controls for Trichinella in meat (Text with EEA relevance)\"<\/a>. <i>EUR-Lex<\/i>. European Union<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/eur-lex.europa.eu\/eli\/reg\/2005\/2075\/oj\" target=\"_blank\">https:\/\/eur-lex.europa.eu\/eli\/reg\/2005\/2075\/oj<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Commission+Regulation+%28EC%29+No+2075%2F2005+of+5+December+2005+laying+down+specific+rules+on+official+controls+for+Trichinella+in+meat+%28Text+with+EEA+relevance%29&rft.atitle=EUR-Lex&rft.aulast=Commission+of+the+European+Communities&rft.au=Commission+of+the+European+Communities&rft.date=5+December+2005&rft.pub=European+Union&rft_id=https%3A%2F%2Feur-lex.europa.eu%2Feli%2Freg%2F2005%2F2075%2Foj&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Weerasekera, N.D.K.; Jayasinghe-Mudalige, U.K.; Ikram, S.M.M. et al. (2013). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/repository.wyb.ac.lk\/handle\/1\/760?show=full\" target=\"_blank\">\"Incentives and constraints for bottled drinking water manufacturing firms in Sri Lanka to adopt HACCP food safety and quality metasystem: A discriminant analysis\"<\/a>. Wayamba University of Sri Lanka<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/repository.wyb.ac.lk\/handle\/1\/760?show=full\" target=\"_blank\">http:\/\/repository.wyb.ac.lk\/handle\/1\/760?show=full<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Incentives+and+constraints+for+bottled+drinking+water+manufacturing+firms+in+Sri+Lanka+to+adopt+HACCP+food+safety+and+quality+metasystem%3A+A+discriminant+analysis&rft.atitle=&rft.aulast=Weerasekera%2C+N.D.K.%3B+Jayasinghe-Mudalige%2C+U.K.%3B+Ikram%2C+S.M.M.+et+al.&rft.au=Weerasekera%2C+N.D.K.%3B+Jayasinghe-Mudalige%2C+U.K.%3B+Ikram%2C+S.M.M.+et+al.&rft.date=2013&rft.pub=Wayamba+University+of+Sri+Lanka&rft_id=http%3A%2F%2Frepository.wyb.ac.lk%2Fhandle%2F1%2F760%3Fshow%3Dfull&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mar\u00edn Navas, Carmen; Delgado Bermejo, Juan Vicente; McLean, Amy Katherine; Le\u00f3n Jurado, Jos\u00e9 Manuel; Rodriguez de la Borbolla y Ruiberriz de Torres, Antonio; Navas Gonz\u00e1lez, Francisco Javier (21 January 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2076-2615\/11\/2\/269\" target=\"_blank\">\"Discriminant Canonical Analysis of the Contribution of Spanish and Arabian Purebred Horses to the Genetic Diversity and Population Structure of Hispano-Arabian Horses\"<\/a> (in en). <i>Animals<\/i> <b>11<\/b> (2): 269. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fani11020269\" target=\"_blank\">10.3390\/ani11020269<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2076-2615\" target=\"_blank\">2076-2615<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7912545\/\" target=\"_blank\">PMC7912545<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33494478\" target=\"_blank\">33494478<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2076-2615\/11\/2\/269\" target=\"_blank\">https:\/\/www.mdpi.com\/2076-2615\/11\/2\/269<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Discriminant+Canonical+Analysis+of+the+Contribution+of+Spanish+and+Arabian+Purebred+Horses+to+the+Genetic+Diversity+and+Population+Structure+of+Hispano-Arabian+Horses&rft.jtitle=Animals&rft.aulast=Mar%C3%ADn+Navas&rft.aufirst=Carmen&rft.au=Mar%C3%ADn+Navas%2C%26%2332%3BCarmen&rft.au=Delgado+Bermejo%2C%26%2332%3BJuan+Vicente&rft.au=McLean%2C%26%2332%3BAmy+Katherine&rft.au=Le%C3%B3n+Jurado%2C%26%2332%3BJos%C3%A9+Manuel&rft.au=Rodriguez+de+la+Borbolla+y+Ruiberriz+de+Torres%2C%26%2332%3BAntonio&rft.au=Navas+Gonz%C3%A1lez%2C%26%2332%3BFrancisco+Javier&rft.date=21+January+2021&rft.volume=11&rft.issue=2&rft.pages=269&rft_id=info:doi\/10.3390%2Fani11020269&rft.issn=2076-2615&rft_id=info:pmc\/PMC7912545&rft_id=info:pmid\/33494478&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2076-2615%2F11%2F2%2F269&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Poulsen, J.; French, A. (2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/docplayer.net\/14088191-Discriminant-function-analysis-da.html\" target=\"_blank\">\"Discriminant Function Analysis (DA)\"<\/a>. <i>DocPlayer<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/docplayer.net\/14088191-Discriminant-function-analysis-da.html\" target=\"_blank\">https:\/\/docplayer.net\/14088191-Discriminant-function-analysis-da.html<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 02 November 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Discriminant+Function+Analysis+%28DA%29&rft.atitle=DocPlayer&rft.aulast=Poulsen%2C+J.%3B+French%2C+A.&rft.au=Poulsen%2C+J.%3B+French%2C+A.&rft.date=2008&rft_id=https%3A%2F%2Fdocplayer.net%2F14088191-Discriminant-function-analysis-da.html&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Handhal, Amna M.; Jawad, Shaymaa M.; Al-Abadi, Alaa M. (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0920410519303092\" target=\"_blank\">\"GIS-based machine learning models for mapping tar mat zones in upper part (DJ unit) of Zubair Formation in North Rumaila supergiant oil field, southern Iraq\"<\/a> (in en). <i>Journal of Petroleum Science and Engineering<\/i> <b>178<\/b>: 559\u2013574. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.petrol.2019.03.071\" target=\"_blank\">10.1016\/j.petrol.2019.03.071<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0920410519303092\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0920410519303092<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=GIS-based+machine+learning+models+for+mapping+tar+mat+zones+in+upper+part+%28DJ+unit%29+of+Zubair+Formation+in+North+Rumaila+supergiant+oil+field%2C+southern+Iraq&rft.jtitle=Journal+of+Petroleum+Science+and+Engineering&rft.aulast=Handhal&rft.aufirst=Amna+M.&rft.au=Handhal%2C%26%2332%3BAmna+M.&rft.au=Jawad%2C%26%2332%3BShaymaa+M.&rft.au=Al-Abadi%2C%26%2332%3BAlaa+M.&rft.date=1+July+2019&rft.volume=178&rft.pages=559%E2%80%93574&rft_id=info:doi\/10.1016%2Fj.petrol.2019.03.071&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0920410519303092&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">James, Gareth; Witten, Daniela; Hastie, Trevor; Tibshirani, Robert (2013). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/978-1-4614-7138-7\" target=\"_blank\"><i>An Introduction to Statistical Learning<\/i><\/a>. Springer Texts in Statistics. <b>103<\/b>. New York, NY: Springer New York. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-1-4614-7138-7\" target=\"_blank\">10.1007\/978-1-4614-7138-7<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4614-7137-0<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/978-1-4614-7138-7\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/978-1-4614-7138-7<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=An+Introduction+to+Statistical+Learning&rft.aulast=James&rft.aufirst=Gareth&rft.au=James%2C%26%2332%3BGareth&rft.au=Witten%2C%26%2332%3BDaniela&rft.au=Hastie%2C%26%2332%3BTrevor&rft.au=Tibshirani%2C%26%2332%3BRobert&rft.date=2013&rft.series=Springer+Texts+in+Statistics&rft.volume=103&rft.place=New+York%2C+NY&rft.pub=Springer+New+York&rft_id=info:doi\/10.1007%2F978-1-4614-7138-7&rft.isbn=978-1-4614-7137-0&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-1-4614-7138-7&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gonz\u00e1lez Ariza, Antonio; Arando Arbulu, Ander; Navas Gonz\u00e1lez, Francisco Javier; Delgado Bermejo, Juan Vicente; Camacho Vallejo, Mar\u00eda Esperanza (17 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2304-8158\/10\/3\/632\" target=\"_blank\">\"Discriminant Canonical Analysis as a Validation Tool for Multivariety Native Breed Egg Commercial Quality Classification\"<\/a> (in en). <i>Foods<\/i> <b>10<\/b> (3): 632. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Ffoods10030632\" target=\"_blank\">10.3390\/foods10030632<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2304-8158\" target=\"_blank\">2304-8158<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8002516\/\" target=\"_blank\">PMC8002516<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33802707\" target=\"_blank\">33802707<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2304-8158\/10\/3\/632\" target=\"_blank\">https:\/\/www.mdpi.com\/2304-8158\/10\/3\/632<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Discriminant+Canonical+Analysis+as+a+Validation+Tool+for+Multivariety+Native+Breed+Egg+Commercial+Quality+Classification&rft.jtitle=Foods&rft.aulast=Gonz%C3%A1lez+Ariza&rft.aufirst=Antonio&rft.au=Gonz%C3%A1lez+Ariza%2C%26%2332%3BAntonio&rft.au=Arando+Arbulu%2C%26%2332%3BAnder&rft.au=Navas+Gonz%C3%A1lez%2C%26%2332%3BFrancisco+Javier&rft.au=Delgado+Bermejo%2C%26%2332%3BJuan+Vicente&rft.au=Camacho+Vallejo%2C%26%2332%3BMar%C3%ADa+Esperanza&rft.date=17+March+2021&rft.volume=10&rft.issue=3&rft.pages=632&rft_id=info:doi\/10.3390%2Ffoods10030632&rft.issn=2304-8158&rft_id=info:pmc\/PMC8002516&rft_id=info:pmid\/33802707&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2304-8158%2F10%2F3%2F632&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Rogerson, Peter (2001). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/methods.sagepub.com\/book\/statistical-methods-for-geography\" target=\"_blank\">\"Data Reduction: Factor Analysis and Cluster Analysis\"<\/a>. <i>Statistical Methods for Geography<\/i>. 1 Oliver's Yard, 55 City Road, London England EC1Y 1SP United Kingdom: SAGE Publications, Ltd. pp. 192\u20137. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.4135%2F9781849209953\" target=\"_blank\">10.4135\/9781849209953<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-7619-6288-5<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/methods.sagepub.com\/book\/statistical-methods-for-geography\" target=\"_blank\">https:\/\/methods.sagepub.com\/book\/statistical-methods-for-geography<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Data+Reduction%3A+Factor+Analysis+and+Cluster+Analysis&rft.atitle=Statistical+Methods+for+Geography&rft.aulast=Rogerson&rft.aufirst=Peter&rft.au=Rogerson%2C%26%2332%3BPeter&rft.date=2001&rft.pages=pp.%26nbsp%3B192%E2%80%937&rft.place=1+Oliver%27s+Yard%2C%C2%A055+City+Road%2C%C2%A0London%C2%A0England%C2%A0EC1Y+1SP%C2%A0United+Kingdom&rft.pub=SAGE+Publications%2C+Ltd&rft_id=info:doi\/10.4135%2F9781849209953&rft.isbn=978-0-7619-6288-5&rft_id=https%3A%2F%2Fmethods.sagepub.com%2Fbook%2Fstatistical-methods-for-geography&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-18\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-18\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Nanda, Muhammad Achirul; Seminar, Kudang Boro; Nandika, Dodi; Maddu, Akhiruddin (25 July 2018). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/ijtech.eng.ui.ac.id\/article\/view\/455\" target=\"_blank\">\"Discriminant Analysis as a Tool for Detecting the Acoustic Signals of Termites Coptotermes Curvignathus (Isoptera: Rhinotermitidae)\"<\/a>. <i>International Journal of Technology<\/i> <b>9<\/b> (4): 840. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.14716%2Fijtech.v9i4.455\" target=\"_blank\">10.14716\/ijtech.v9i4.455<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2087-2100\" target=\"_blank\">2087-2100<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/ijtech.eng.ui.ac.id\/article\/view\/455\" target=\"_blank\">http:\/\/ijtech.eng.ui.ac.id\/article\/view\/455<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Discriminant+Analysis+as+a+Tool+for+Detecting+the+Acoustic+Signals+of+Termites+Coptotermes+Curvignathus+%28Isoptera%3A+Rhinotermitidae%29&rft.jtitle=International+Journal+of+Technology&rft.aulast=Nanda&rft.aufirst=Muhammad+Achirul&rft.au=Nanda%2C%26%2332%3BMuhammad+Achirul&rft.au=Seminar%2C%26%2332%3BKudang+Boro&rft.au=Nandika%2C%26%2332%3BDodi&rft.au=Maddu%2C%26%2332%3BAkhiruddin&rft.date=25+July+2018&rft.volume=9&rft.issue=4&rft.pages=840&rft_id=info:doi\/10.14716%2Fijtech.v9i4.455&rft.issn=2087-2100&rft_id=http%3A%2F%2Fijtech.eng.ui.ac.id%2Farticle%2Fview%2F455&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Anuthama, Krishnamurthy; Shankar, S.; Ilayaraja, Vadivel; Kumar, Gopal Shiva; Rajmohan, M.; Vignesh (1 October 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073811002337\" target=\"_blank\">\"Determining dental sex dimorphism in South Indians using discriminant function analysis\"<\/a> (in en). <i>Forensic Science International<\/i> <b>212<\/b> (1-3): 86\u201389. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.forsciint.2011.05.018\" target=\"_blank\">10.1016\/j.forsciint.2011.05.018<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073811002337\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073811002337<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Determining+dental+sex+dimorphism+in+South+Indians+using+discriminant+function+analysis&rft.jtitle=Forensic+Science+International&rft.aulast=Anuthama&rft.aufirst=Krishnamurthy&rft.au=Anuthama%2C%26%2332%3BKrishnamurthy&rft.au=Shankar%2C%26%2332%3BS.&rft.au=Ilayaraja%2C%26%2332%3BVadivel&rft.au=Kumar%2C%26%2332%3BGopal+Shiva&rft.au=Rajmohan%2C%26%2332%3BM.&rft.au=Vignesh&rft.date=1+October+2011&rft.volume=212&rft.issue=1-3&rft.pages=86%E2%80%9389&rft_id=info:doi\/10.1016%2Fj.forsciint.2011.05.018&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0379073811002337&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhang, Qiuyan; Hu, Jiang; Bai, Zhidong (1 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S037837581830301X\" target=\"_blank\">\"Modified Pillai\u2019s trace statistics for two high-dimensional sample covariance matrices\"<\/a> (in en). <i>Journal of Statistical Planning and Inference<\/i> <b>207<\/b>: 255\u2013275. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jspi.2020.01.002\" target=\"_blank\">10.1016\/j.jspi.2020.01.002<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S037837581830301X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S037837581830301X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Modified+Pillai%E2%80%99s+trace+statistics+for+two+high-dimensional+sample+covariance+matrices&rft.jtitle=Journal+of+Statistical+Planning+and+Inference&rft.aulast=Zhang&rft.aufirst=Qiuyan&rft.au=Zhang%2C%26%2332%3BQiuyan&rft.au=Hu%2C%26%2332%3BJiang&rft.au=Bai%2C%26%2332%3BZhidong&rft.date=1+July+2020&rft.volume=207&rft.pages=255%E2%80%93275&rft_id=info:doi\/10.1016%2Fj.jspi.2020.01.002&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS037837581830301X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-21\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-21\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pieruccini\u2010Faria, Frederico; Black, Sandra E.; Masellis, Mario; Smith, Eric E.; Almeida, Quincy J.; Li, Karen Z. H.; Bherer, Louis; Camicioli, Richard <i>et al.<\/i> (1 August 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/alz-journals.onlinelibrary.wiley.com\/doi\/10.1002\/alz.12298\" target=\"_blank\">\"Gait variability across neurodegenerative and cognitive disorders: Results from the Canadian Consortium of Neurodegeneration in Aging (CCNA) and the Gait and Brain Study\"<\/a> (in en). <i>Alzheimer's & Dementia<\/i> <b>17<\/b> (8): 1317\u20131328. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Falz.12298\" target=\"_blank\">10.1002\/alz.12298<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1552-5260\" target=\"_blank\">1552-5260<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8451764\/\" target=\"_blank\">PMC8451764<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33590967\" target=\"_blank\">33590967<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/alz-journals.onlinelibrary.wiley.com\/doi\/10.1002\/alz.12298\" target=\"_blank\">https:\/\/alz-journals.onlinelibrary.wiley.com\/doi\/10.1002\/alz.12298<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Gait+variability+across+neurodegenerative+and+cognitive+disorders%3A+Results+from+the+Canadian+Consortium+of+Neurodegeneration+in+Aging+%28CCNA%29+and+the+Gait+and+Brain+Study&rft.jtitle=Alzheimer%27s+%26+Dementia&rft.aulast=Pieruccini%E2%80%90Faria&rft.aufirst=Frederico&rft.au=Pieruccini%E2%80%90Faria%2C%26%2332%3BFrederico&rft.au=Black%2C%26%2332%3BSandra+E.&rft.au=Masellis%2C%26%2332%3BMario&rft.au=Smith%2C%26%2332%3BEric+E.&rft.au=Almeida%2C%26%2332%3BQuincy+J.&rft.au=Li%2C%26%2332%3BKaren+Z.+H.&rft.au=Bherer%2C%26%2332%3BLouis&rft.au=Camicioli%2C%26%2332%3BRichard&rft.au=Montero%E2%80%90Odasso%2C%26%2332%3BManuel&rft.date=1+August+2021&rft.volume=17&rft.issue=8&rft.pages=1317%E2%80%931328&rft_id=info:doi\/10.1002%2Falz.12298&rft.issn=1552-5260&rft_id=info:pmc\/PMC8451764&rft_id=info:pmid\/33590967&rft_id=https%3A%2F%2Falz-journals.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Falz.12298&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Manly, Bryan F. J.; Navarro Alberto, Jorge A. (2017). <i>Multivariate statistical methods: a primer<\/i> (Fourth edition ed.). Boca Raton: CRC Press, Taylor & Francis Group. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-1-4987-2896-6.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=Multivariate+statistical+methods%3A+a+primer&rft.aulast=Manly&rft.aufirst=Bryan+F.+J.&rft.au=Manly%2C%26%2332%3BBryan+F.+J.&rft.au=Navarro+Alberto%2C%26%2332%3BJorge+A.&rft.date=2017&rft.edition=Fourth+edition&rft.place=Boca+Raton&rft.pub=CRC+Press%2C+Taylor+%26+Francis+Group&rft.isbn=978-1-4987-2896-6&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Hair, J.F.; Black, W.C.; Babin, B.J. et al. (2010). \"Canonical correlation: A supplement to multivariate data analysis\". In Hair, Joseph F. <i>Multivariate data analysis: a global perspective<\/i> (7. ed., global ed ed.). Upper Saddle River, NJ Munich: Pearson. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-13-515309-3.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Canonical+correlation%3A+A+supplement+to+multivariate+data+analysis&rft.atitle=Multivariate+data+analysis%3A+a+global+perspective&rft.aulast=Hair%2C+J.F.%3B+Black%2C+W.C.%3B+Babin%2C+B.J.+et+al.&rft.au=Hair%2C+J.F.%3B+Black%2C+W.C.%3B+Babin%2C+B.J.+et+al.&rft.date=2010&rft.edition=7.+ed.%2C+global+ed&rft.place=Upper+Saddle+River%2C+NJ+Munich&rft.pub=Pearson&rft.isbn=978-0-13-515309-3&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-24\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-24\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Chan, Y. H. (1 February 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/15678285\" target=\"_blank\">\"Biostatistics 303. Discriminant analysis\"<\/a>. <i>Singapore Medical Journal<\/i> <b>46<\/b> (2): 54\u201361; quiz 62. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0037-5675\" target=\"_blank\">0037-5675<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/15678285\" target=\"_blank\">15678285<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/15678285\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/15678285<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Biostatistics+303.+Discriminant+analysis&rft.jtitle=Singapore+Medical+Journal&rft.aulast=Chan&rft.aufirst=Y.+H.&rft.au=Chan%2C%26%2332%3BY.+H.&rft.date=1+February+2005&rft.volume=46&rft.issue=2&rft.pages=54%E2%80%9361%3B+quiz+62&rft.issn=0037-5675&rft_id=info:pmid\/15678285&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F15678285&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gajadhar, Alvin A.; Pozio, Edoardo; Ray Gamble, H.; N\u00f6ckler, Karsten; Maddox-Hyttel, Charlotte; Forbes, Lorry B.; Vall\u00e9e, Isabelle; Rossi, Patrizia <i>et al.<\/i> (1 February 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170800558X\" target=\"_blank\">\"Trichinella diagnostics and control: Mandatory and best practices for ensuring food safety\"<\/a> (in en). <i>Veterinary Parasitology<\/i> <b>159<\/b> (3-4): 197\u2013205. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.vetpar.2008.10.063\" target=\"_blank\">10.1016\/j.vetpar.2008.10.063<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170800558X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S030440170800558X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Trichinella+diagnostics+and+control%3A+Mandatory+and+best+practices+for+ensuring+food+safety&rft.jtitle=Veterinary+Parasitology&rft.aulast=Gajadhar&rft.aufirst=Alvin+A.&rft.au=Gajadhar%2C%26%2332%3BAlvin+A.&rft.au=Pozio%2C%26%2332%3BEdoardo&rft.au=Ray+Gamble%2C%26%2332%3BH.&rft.au=N%C3%B6ckler%2C%26%2332%3BKarsten&rft.au=Maddox-Hyttel%2C%26%2332%3BCharlotte&rft.au=Forbes%2C%26%2332%3BLorry+B.&rft.au=Vall%C3%A9e%2C%26%2332%3BIsabelle&rft.au=Rossi%2C%26%2332%3BPatrizia&rft.au=Marinculi%C4%87%2C%26%2332%3BAlbert&rft.date=1+February+2009&rft.volume=159&rft.issue=3-4&rft.pages=197%E2%80%93205&rft_id=info:doi\/10.1016%2Fj.vetpar.2008.10.063&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS030440170800558X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-26\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-26\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rossi, Patrizia; de Smet, Kris; Pozio, Edoardo (1 March 2017). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s12161-016-0619-y\" target=\"_blank\">\"Detection of Trichinella Larvae in Meat: Comparison of ISO 18743:2015 with Regulation (EU) 2015\/1375\"<\/a> (in en). <i>Food Analytical Methods<\/i> <b>10<\/b> (3): 634\u2013639. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs12161-016-0619-y\" target=\"_blank\">10.1007\/s12161-016-0619-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1936-9751\" target=\"_blank\">1936-9751<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s12161-016-0619-y\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s12161-016-0619-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Detection+of+Trichinella+Larvae+in+Meat%3A+Comparison+of+ISO+18743%3A2015+with+Regulation+%28EU%29+2015%2F1375&rft.jtitle=Food+Analytical+Methods&rft.aulast=Rossi&rft.aufirst=Patrizia&rft.au=Rossi%2C%26%2332%3BPatrizia&rft.au=de+Smet%2C%26%2332%3BKris&rft.au=Pozio%2C%26%2332%3BEdoardo&rft.date=1+March+2017&rft.volume=10&rft.issue=3&rft.pages=634%E2%80%93639&rft_id=info:doi\/10.1007%2Fs12161-016-0619-y&rft.issn=1936-9751&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs12161-016-0619-y&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-27\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_27-0\">27.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_27-1\">27.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marucci, Gianluca; Pezzotti, Patrizio; Pozio, Edoardo (1 February 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0304401708005906\" target=\"_blank\">\"Ring trial among National Reference Laboratories for parasites to detect Trichinella spiralis larvae in pork samples according to the EU directive 2075\/2005\"<\/a> (in en). <i>Veterinary Parasitology<\/i> <b>159<\/b> (3-4): 337\u2013340. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.vetpar.2008.10.047\" target=\"_blank\">10.1016\/j.vetpar.2008.10.047<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0304401708005906\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0304401708005906<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Ring+trial+among+National+Reference+Laboratories+for+parasites+to+detect+Trichinella+spiralis+larvae+in+pork+samples+according+to+the+EU+directive+2075%2F2005&rft.jtitle=Veterinary+Parasitology&rft.aulast=Marucci&rft.aufirst=Gianluca&rft.au=Marucci%2C%26%2332%3BGianluca&rft.au=Pezzotti%2C%26%2332%3BPatrizio&rft.au=Pozio%2C%26%2332%3BEdoardo&rft.date=1+February+2009&rft.volume=159&rft.issue=3-4&rft.pages=337%E2%80%93340&rft_id=info:doi\/10.1016%2Fj.vetpar.2008.10.047&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0304401708005906&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-28\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_28-0\">28.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_28-1\">28.1<\/a><\/sup> <sup><a href=\"#cite_ref-:6_28-2\">28.2<\/a><\/sup> <sup><a href=\"#cite_ref-:6_28-3\">28.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Gamble, H. Ray (1 September 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2405676622000294\" target=\"_blank\">\"Trichinella spp. control in modern pork production systems\"<\/a> (in en). <i>Food and Waterborne Parasitology<\/i> <b>28<\/b>: e00172. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.fawpar.2022.e00172\" target=\"_blank\">10.1016\/j.fawpar.2022.e00172<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9356189\/\" target=\"_blank\">PMC9356189<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35942058\" target=\"_blank\">35942058<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2405676622000294\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2405676622000294<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Trichinella+spp.+control+in+modern+pork+production+systems&rft.jtitle=Food+and+Waterborne+Parasitology&rft.aulast=Gamble&rft.aufirst=H.+Ray&rft.au=Gamble%2C%26%2332%3BH.+Ray&rft.date=1+September+2022&rft.volume=28&rft.pages=e00172&rft_id=info:doi\/10.1016%2Fj.fawpar.2022.e00172&rft_id=info:pmc\/PMC9356189&rft_id=info:pmid\/35942058&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2405676622000294&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-29\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-29\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Alyacoubi, Said; B\u00f6ttcher, Bettina; Albarqouni, Loai; Elessi, Khamis (1 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0140673621014999\" target=\"_blank\">\"Clinical audit as a quality improvement tool in the Gaza Strip: an audit of audits\"<\/a> (in en). <i>The Lancet<\/i> <b>398<\/b>: S13. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2FS0140-6736%2821%2901499-9\" target=\"_blank\">10.1016\/S0140-6736(21)01499-9<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0140673621014999\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0140673621014999<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Clinical+audit+as+a+quality+improvement+tool+in+the+Gaza+Strip%3A+an+audit+of+audits&rft.jtitle=The+Lancet&rft.aulast=Alyacoubi&rft.aufirst=Said&rft.au=Alyacoubi%2C%26%2332%3BSaid&rft.au=B%C3%B6ttcher%2C%26%2332%3BBettina&rft.au=Albarqouni%2C%26%2332%3BLoai&rft.au=Elessi%2C%26%2332%3BKhamis&rft.date=1+July+2021&rft.volume=398&rft.pages=S13&rft_id=info:doi\/10.1016%2FS0140-6736%2821%2901499-9&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0140673621014999&rfr_id=info:sid\/en.wikipedia.org:Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation and updates to spelling and grammar. In some cases important information was missing from the references, and that information was added. On multiple occasions, the original seems to inadvertently switch back and forth between Spanish and English acronyms and initialisms; for this version, all acronyms and initialisms were standardized to English.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104163853\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 1.536 seconds\nReal time usage: 1.873 seconds\nPreprocessor visited node count: 29393\/1000000\nPost\u2010expand include size: 272778\/2097152 bytes\nTemplate argument size: 93498\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 74542\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 625.118 1 -total\n 81.86% 511.709 1 Template:Reflist\n 64.53% 403.411 29 Template:Citation\/core\n 50.58% 316.200 18 Template:Cite_journal\n 13.25% 82.807 7 Template:Cite_web\n 12.04% 75.236 28 Template:Date\n 8.57% 53.553 1 Template:Infobox_journal_article\n 8.24% 51.486 45 Template:Citation\/identifier\n 7.82% 48.854 4 Template:Cite_book\n 7.40% 46.237 1 Template:Infobox\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14509-0!canonical!math=5 and timestamp 20240104163852 and revision id 53872. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.\">https:\/\/www.limswiki.org\/index.php\/Journal:A_quality_assurance_discrimination_tool_for_the_evaluation_of_satellite_laboratory_practice_excellence_in_the_context_of_European_regulatory_meat_inspection_for_Trichinella_spp.<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","82f7f2e44a6ed2d71c1cce8714435736_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/4\/40\/Fig1_Villegas-P%C3%A9rez_Foods23_12-22.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/9\/91\/Fig2_Villegas-P%C3%A9rez_Foods23_12-22.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/a3\/Fig3_Villegas-P%C3%A9rez_Foods23_12-22.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/16\/Fig4_Villegas-P%C3%A9rez_Foods23_12-22.png"],"82f7f2e44a6ed2d71c1cce8714435736_timestamp":1704389296,"301f921faedd16dc2518b8927b0806b6_type":"article","301f921faedd16dc2518b8927b0806b6_title":"Developing a framework for open and FAIR data management practices for next generation risk- and benefit assessment of fish and seafood (Pineda-Pampliega et al. 2022)","301f921faedd16dc2518b8927b0806b6_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood","301f921faedd16dc2518b8927b0806b6_plaintext":"\n\nJournal:Developing a framework for open and FAIR data management practices for next generation risk- and benefit assessment of fish and seafoodFrom LIMSWikiJump to navigationJump to searchFull article title\n \nDeveloping a framework for open and FAIR data management practices for next generation risk- and benefit assessment of fish and seafoodJournal\n \nEFSA JournalAuthor(s)\n \nPineda-Pampliega, Javier; Bernhard, Annette; Hannisdal, Rita; \u00d8rnsrud, Robin; Mathisen, Gro H.; Solstad, Gisle; Rasinger, Josef D.Author affiliation(s)\n \nNorwegian Scientific Committee for Food and EnvironmentPrimary contact\n \neu dash fora at efsa dot europa dot euYear published\n \n2022Volume and issue\n \n20(S2)Article #\n \ne200917DOI\n \n10.2903\/j.efsa.2022.e200917ISSN\n \n1831-4732Distribution license\n \nCreative Commons Attribution-NoDerivs 4.0 InternationalWebsite\n \nhttps:\/\/efsa.onlinelibrary.wiley.com\/doi\/full\/10.2903\/j.efsa.2022.e200917Download\n \nhttps:\/\/efsa.onlinelibrary.wiley.com\/doi\/pdfdirect\/10.2903\/j.efsa.2022.e200917 (PDF)\n\nContents \n\n1 Abstract \n2 Description of work program \n\n2.1 Aims \n2.2 Methods \n\n2.2.1 R \n2.2.2 Shiny \n2.2.3 Git and GitHub \n2.2.4 Zenodo \n2.2.5 OpenFoodTox \n2.2.6 Seafood database \n\n\n2.3 Activities \n\n2.3.1 Evaluation and actions on the OpenFoodTox database \n2.3.2 Evaluation and actions on the Seafood database \n2.3.3 Spin off activities in implementing FAIR data management practices \n2.3.4 Other spin off activities during the project \n\n\n\n\n3 Conclusions \n4 Acknowledgements \n\n4.1 Funding \n4.2 Declaration of interest \n\n\n5 References \n6 Notes \n\n\n\nAbstract \nRisk and risk\u2013benefit assessments of food are complex exercises, in which access to and use of several disconnected individual stand-alone databases is required to obtain hazard and exposure information. Data obtained from such databases ideally should be in line with the FAIR principles, i.e. the data must be findable, accessible, interoperable, and reusable. However, often cases are encountered when one or more of these principles are not followed. In this project, we set out to assess if existing commonly used databases in risk assessment are in line with the FAIR principles. We also investigated how access, interoperability, and reusability of data could be improved. We used the OpenFoodTox and the Seafood database as examples and showed how commonly used freely available open-source tools and repositories can be implemented in the data extraction process of risk assessments to increase data reusability and crosstalk across different databases.\nKeywords: FAIR, food safety, risk assessment, OpenFoodTox, Seafood database, R, Shiny, Zenodo\n\nDescription of work program \nAims \nThis project assessed how to apply FAIR data principles[1] in risk and risk\u2013benefit assessments of food. Focusing on key databases recently used in a risk\u2013benefit assessment of fish and seafood in the Norwegian diet[2], the OpenFoodTox and the Seafood database, we aimed to demonstrate how open-source software tools can be used to make data stored in publicly available repositories more findable, accessible, interoperable, and reusable.\n\nMethods \nUsing the programming language R[3] and data obtained from the European Food Safety Authority (EFSA) OpenFoodTox Tool[4][5] and from the Institute of Marine Research (IMR) Seafood database[6], we assessed if programmatic optimization of access and the creation of a web-tool for selection and merging of subsets of the stored data improved findability, accessibility, interoperability, and reusability of the data. In this section, a brief description of both data and tools used is provided.\n\nR \nThe programming language and environment R has been designed for the statistical analysis of data and the creation of graphics.[3] Over the past years, R has increasingly gained interest in the scientific research community[7] as it is effective for data handling and includes many tools for basic and advanced data analysis.[3] R is a well-developed non-static language, which means that its base features can easily be extended via packages that can provide new functions and functionalities for different data science challenges, including bioinformatics and data mining.[8] In addition to this, R is supported by a big open-source community actively using this language and continuously adding new functionalities. R is licensed under the terms of the Free Software Foundation's GNU General Public License in source code form.[3] To facilitate programming with R, we used RStudio, an integrated development environment for R.[9]\n\nShiny \nAs commented above, R can be expanded through packages, including one commonly used one called Shiny.[10] This package was designed with the idea of creating interactive web applications which use R in the backend. While the creator of a web-based Shiny-tool does need to know R, the end user of the web application created with Shiny does not need to have any knowledge of R. In addition to local installations of R and Shiny, Shiny web app also can be stored on a server, which users can access through their web browser. In both cases, the appearance and functionalities of the applications are the same, and the underlying R code can be shared freely.\n\nGit and GitHub \nGit is a version control system designed to allow different users to work on the same programming project, ensuring the traceability of progress and changes in the project. One of the most widely used providers of internet hosting for software development and version control using Git is GitHub.[11] GitHub implements Git and offers a free version, in which users can host different smaller projects and scripts, providing an easy way to share code created in R and other programming languages on the web. The scripts generated during this project will be hosted and accessible on GitHub in this repository.[12]\n\nZenodo \nUnder the European OpenAIRE program, and with the idea of championing the sharing of scientific data, the Zenodo[13] open repository was developed and operated by CERN.[13] This open-source repository was developed for scientific data in a broad way, allowing to deposit not only research papers, but also data sets, software, reports, supplementary data and any other research-related digital artifacts. Submissions to Zenodo obtain a persistent digital object identifier (DOI), which facilitates the citation of the stored items and allows the sharing of data prior to their publication in peer-reviewed journals.\nFor a speedy exchange of evidence and supporting materials which could be used in food and feed safety risk assessments, EFSA has created a curated open repository called the Knowledge Junction within Zenodo. In addition to EFSA, several other institutions use Knowledge Junctions to share different data related to food security. For example, The Norwegian Scientific Committee for Food and Environment (VKM), which is part of this project, uses this Zenodo repository to upload finished reports (i.e., risk assessment and risk\u2013benefit assessment) and supplementary materials of interest (i.e., literature searches, datasets, codes, etc.). To date, for VKM, the most recent example of the use of Zenodo is the opinion on the \"Risk-Benefit Assessment of Sunscreen\"[14] For this opinion, the fellow Javier Pineda-Pampliega contributed to the preparation of the public sharing of the report's supplementary material, including datasets and R codes currently hosted on the VKM Knowledge Junction.[15]\nZenodo recently implemented the possibility to import GitHub workspaces; it now is possible to host completed GitHub projects also on Zenodo. This offers the advantage of obtaining a DOI for one's code, which simplifies the traceability and proper citation of code used to create the results.\n\nOpenFoodTox \nThe EFSA's Chemical Hazards Database, OpenFoodTox[4][5], is a structured database summarizing the outcomes of hazard identification and characterization for human and animal health and for the environment. It includes all regulated products and contaminants and provides open-source data for the (1) substance characterization, (2) links to EFSA outputs, and the values of (3) reference points, (4) reference values, and (5) genotoxicity. This database has become an essential tool for risk assessors and has provided the basis for the development and implementation of new approach methodologies (NAMs) in food and feed safety research. OpenFoodTox is hosted both on the EFSA webpage (as an interactive web tool) and on Zenodo in the EFSA Knowledge Junction.\n\nSeafood database \nThe Institute of Marine Research in Norway routinely collects samples of key marine species for national and international monitoring programs. Their ISO\/IEC 17025 accredited laboratories perform analyses of contaminants and nutrients using state-of-the-art methods. All the data generated, comprising multiple data points for over 25,000 individuals collected over a period of up to 15\u2009years, are aggregated in a large in-house database. This database can be accessed freely through the online Seafood database portal[6], where the user can select between fish, shellfish, and seaweed divided by wild or farmed, and even prepared products, which can be found in Norwegian supermarkets. The database holds data of both Nutrients (separated into five categories: Amino acids, Fatty acids, Macro nutrients, Minerals, and Trace elements and Vitamins) and Contaminants (separated into four categories: Drug residues, Heavy metals, Organic pollutants, and Other undesirable substances).\n\nActivities \nWith the aim to investigate the application of FAIR data principles in risk\u2013benefit assessment of seafood, it was essential to evaluate opportunities and limitations in the OpenFoodTox and the Seafood database. Once evaluated, we developed publicly available R and Shiny code, which attempts to address potential limitations found and to add new functionalities for sub-setting and improved crosstalk between hazard and occurrence data repositories.\n\nEvaluation and actions on the OpenFoodTox database \nThe OpenFoodTox database can be used in two different ways. The first (1) option is through the EFSA-hosted web application. The EFSA-hosted web application of the OpenFoodTox tool presents a classical interface, where different compounds can be searched by name. When searching, selected substances appear in five different categories of results: Substance characterization, EFSA outputs, Reference points, Reference values, and Genotoxicity. The resulting output represents the main limitation, as each category only can be downloaded individually (either in pdf, csv or xlsx format). In other words, after a search, the users need to download five different files and manually merge the data.\nThe second (2) option to access data is to download the entire OpenFoodTox database in xlsx format (Microsoft Excel Open XML Spreadsheet) from Zenodo. The data comprises five individual spreadsheets providing data on (1) substance characterization, (2) EFSA outputs, (3) reference points, (4) reference values, and (5) genotoxicity results. There is another \u201ccomplete\u201d spreadsheet, which is a combination of the five spreadsheets commented above (each one in a different tab) in addition to a dictionary spreadsheet.[4] This makes data interoperable. However, as was described in the example above, to work with subsets of data spreading across the different spreadsheets, data aggregation and merging again must be performed manually using additional software for tabular data files. The most common among these tools is Excel, which is part of the commercial Microsoft Office Suite, but other free alternatives such as OpenOffice, LibreOffice, or online tools such as Google Drive Sheets also can be used. In any case, for merging the large individual datasets, the user needs to be proficient in the terminology of terms and use of spreadsheet tools for efficient filtering, merging, and sub-setting of the data in the desired format.\nTo evaluate potential complementary solutions to access, subset, and merge data stored in the EFSA OpenFoodTox database on Zenodo, in the present project using R (vers. 4.1.2) running in RStudio (vers. 2022.2.3.492), functions (i.e., pieces of code which work together for a common purpose) were written using R markdown, being characterized by the following features:\n\nData can be downloaded directly from the OpenFoodTox URL to eliminate the need for the user to search for and\/or download the data in Excel.\nThe database offers the possibility to search for up to 15 elements at the same time, with an implemented control of any repeated entry values. In the case of repetition, the repeated value is indicated, but not considered in the search.\nIf a search is entered for a general term and several compounds appear in the database, an indication for the number of the different compounds is provided. For example, the search \u201clead\u201d returns four results, because the components identified in the database are: \u201cLead,\u201d \u201cLead (II),\u201d \u201cLead sulphate,\u201d and \u201cTetraethyl lead.\u201d\nTo increase the (computational) reusability of the data in automated analysis pipelines, the information is downloaded in a plain text file (txt). This is a standard format of plain text that can be open in many different software tools. However, also the possibility to download data in csv (comma-separated values) is provided.\nTo increase traceability information on the OpenFoodTox database version and the date and time when the file was created are automatically appended to the name of the downloaded file.\nAfter the creation of the R script, to increase the number of potential users of this tool, we assessed if an additional approach that does not require knowledge and use of R could be developed. For this, the creation of a web-based application using Shiny was attempted. The use of Shiny opens the possibility to access and subset OpenFoodTox data using an internet browser only and also allows for the implementation of additional functions into our R code. That is, in addition to the characteristics of the function described above, the Shiny application developed in this project (Figure\u20091) has the following extra functions:\n\nIncreased traceability: an indication of which version of the OpenFoodTox database used has been included. At the time of writing this report, the fifth iteration of the OpenFoodTox was released (and published on Zenodo on 16 June 2022).\nImplementation of interactive tables, allowing to filter results in real-time.\nInitially, tables will show all columns in the dataset, but tools for sub-setting and selection of individual columns to be retained are provided. This functionality makes it easier to take snapshots only of the columns of interest for further uses.\nWith one of the objectives of this project being to facilitate the interaction and crosstalk between databases of interest to risk assessors, the option to add links to PubChem for each selected compound was implemented. PubChem is a database of chemical molecules and their activities, maintained by the National Centre for Biotechnology Information (NCBI) of the United States.\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 1. User interface of the application designed with Shiny to access and work with the OpenFoodTox database.\n\n\n\nEvaluation and actions on the Seafood database \nThe Seafood database contains information collected over a period of up to 15\u2009years, with different data points for over 25,000 individual samples. This represents a comprehensive data repository of nutrients and contaminants in fish and seafood comprising more than 700,000 records. Due to the experience gained in the previous work with the OpenFoodTox tool, we directly designed a web application using Shiny to work with the Seafood database. As with OpenFoodTox, the first step was to evaluate the potential limitations and challenges of the existing system to access the database, which for the general public currently occurs via a web interface. Having gotten access to the data underlying the web-based tool hosted at the IMR, in the present project, we assessed alternative solutions by addressing issues of the current web application using R and Shiny (Figure\u20092). We also set out to include additional functions potentially of use to risk assessors. The Seafood database Shiny web application is characterized by the following features:\n\nThe publicly available web interface of the Seafood database is not version controlled. Furthermore, it is not updated with a defined periodicity, as it depends on data from different projects which are made available at different times throughout the year. This could be a challenge for the traceability of results and repeatability of analysis. As an attempted solution, we suggested for the database to be version controlled and to be updated at defined intervals only, e.g., annually. In addition, we implemented code to show a message highlighting the date when the database was last updated (Figure\u20093A). In a new version of our code, we also will include a button in the Shiny app to select which version of data the user wants to retrieve (i.e., to select the data regarding the day of the update).\nOne common situation users of the Seafood database often encounter is the interest in the comparison of the presence of different compounds in different species or products. In the current web interface of the Seafood database, to check all the substances evaluated, it is only possible to select species or products one by one. In addition, to compare the concentration of different substances between species or products, the maximum number of substances is 10 by search. This makes it difficult to prepare a subset of desired data for further comparisons downstream. As a solution, in the prepared Shiny-based application, the user can select up to 15 species or products simultaneously, with information on all nutrients or contaminants. In addition, if the user is interested in only a particular set of compounds, up to 15 nutrients and another 15 contaminants can be selected.\nThe R of FAIR means \"reusability\" of the data. This implies that for performing additional data analyses not yet envisaged by the data providers, users of a database should be able to access data presented in a non-aggregated way. Currently, the Seafood database does not provide this option; the results of searches are presented as numerical summaries (with sample size, mean, minimum and maximum values for each parameter). This makes it difficult to reuse this data in new evaluations. In the present project, at the IMR, access to all data contained in the Seafood database was provided and two tables are presented in the Shiny application developed: one with a summary of the data (as in the IMR web interface), and another table with the non-aggregated data (Figure\u20093B).\nContinuing with reusability, in addition to access to non-aggregated data, the format in which data can be downloaded by the user is also important to consider. The Seafood database allows downloading in Portable Document Format (pdf) format only. This format is widely used to present documents which include text and images and has the advantage of being immutable, i.e., independent of application software, hardware, and operating systems, and documents are always displayed in the same way. However, this characteristic is a weakness for sharing data intended to be used in downstream analyses. For this, the data needs to be reusable and interoperable. The newly developed Shiny application allows for the download of selected data in txt or csv formats, being the most typical format to share data which could be used for further analysis. Both data from the summary table and the non-aggregated data can be downloaded in the desired formats. In addition, to ensure traceability when files are downloaded, the name consists of the date and the time of the creation and also incorporates the version of the database (the date of the latest update of the data; Figure\u20093C).\n\r\n\n\n\n\n\n\n\n\n\n\nFigure 2. User interface of the application designed with Shiny to access and work with the Seafood database.\n\n\n\n\n\n\n\n\n\n\n\n\nFigure 3. Results of the search in the Shiny application designed to work with the Seafood database. (A) Version of the database used, number of registers eliminated for errors and control of repeated inputs. (B) Examples of the summary and non-aggregated tables. (C) Options to download the results and the name of the file. (D) Options to control left-censored data.\n\n\n\nIn addition to addressing specific limitations of the Seafood database listed above, we added extra functionalities in the Shiny code that we considered could be useful for the users:\n\nAn increase in the number of inputs could entail an increase in the number of mistakes due to a repetition of terms in a search. To avoid this, our application indicates if a value is repeated but, even more important, the repeated value is not considered for the search, showing the same results as if the value were introduced only once (Figure\u20093A).\nDespite quality control measures in place, databases may contain erroneous entries (e.g., the inclusion of text in numeric rows and vice versa, or empty values). The Shiny application developed here includes a filter to flag and eliminate any rows which potentially contain mistakes. In addition, an indication of the number of eliminated entries is provided (Figure\u20093A).\nDuring the quantification of substances, it is possible that values are below the limit of quantification (LOQ) of a specific analysis. The LOQ is the lowest concentration of an analyte that can be quantified with a given certainty. In the Seafood database, values for contaminants below the LOQ are routinely reported using \"Upper bound\" summation where the LOQ is used as if it were the actual concentration measured. This may result in many data points of the same value, and such data sets are referred to as \"Left censored.\" The web interface of the Seafood database indicates which values are below the LOQ, and also lists the numerical value of the respective LOQ for each method and compound in question. Additionally, the Shiny application developed here allows for further modification of the data and the possibility to calculate \"Lower bound\" (substitute values < LOQ by 0) or \"Upper bound\" (substitute values < LOQ with the actual LOQ) (Figure\u20093D).\nTo increase data interoperability and crosstalk between different databases, common unique identifiers must be found. In our opinion, codes of the chemical substances in question provide a good option. Different unique identifiers do exist including InChI (International Chemical Identifier) or SMILES (Simplified Molecular Input Line Entry System), which both are included in the Seafood database. In addition to these, the paramCode was added in the Shiny App, which is suggested by EFSA to be used when reporting on different substances in food and feed.[16]\nOne general challenge we found when working with the Seafood database is that its web interface is designed to share aggregated occurrence data with the public; access to non-aggregated data is limited to in-house use and can be made available on request to risk assessors. Hazard data from OpenFoodTox on the other hand can be accessed both via a web interface for quick screening of information and through a dedicated Zenodo repository for bulk download and direct reuse (e.g., in exposure calculations for risk assessments). In addition, data is version controlled and linked to persistent citable DOIs. This, in our view, strongly facilitates the timely dissemination of information and the reproducibility of the data analysis performed. The benefits of publishing data on an open repository such as Zenodo sparked a discussion at the IMR on how seafood data could be made available to a wider audience in the future, which is an important first step towards further implementation of the FAIR data principles.\n\nSpin off activities in implementing FAIR data management practices \nIn addition to the work described above, during the project period supporting activities were carried out to improve communication in project work relying on coding and data sharing across different work groups and institutes. Within the Marine Toxicology group at the IMR, several software tools are used to advance work on several cross-disciplinary projects. Microsoft Teams is used to allow communication between members of the group through video calls or chat. Microsoft SharePoint is used as a document repository and for interactive document creation and editing. Linking SharePoint to OneDrive, within the group R code could be developed locally using RStudio. This allowed for efficient local collaboration between members of the team. To share different elements for a project externally, in addition to Teams, GitHub accounts were set up, and using RStudio scripts created earlier, were directly uploaded. This workflow was shown to VKM, which implemented this workflow for their research in 2022[14], allowing them for the first time to share supplementary codes and datasheets interactively on Zenodo.[15] Lastly, the fellow also engaged in discussions with IMR IT staff about modern software development and recent developments in micro-services architectures with standardized and structured data representation formats for sharing information between systems and services, such as JSON and XML.\n\nOther spin off activities during the project \nThe performed work is not only represented in this report but was also presented on a poster at the ONE Health, Environment, Society conference in Brussels in June 2022. This conference also invited attendees to participate in a video contest, where a short summary of the project was also presented. In addition to the project work related to FAIR data management, the EU-FORA program also has offered further opportunities. Being integrated into the working group, the fellow had the opportunity to familiarize himself with a new field, participating in a paper regarding proteomics. Finally, to continue training in food security, the fellow also carried out the training \"Risk assessment in biotechnology,\" offered by the European Commission as part of the training initiative \"Better Training for Safer Food\" (BTSF).\n\nConclusions \nLarge amounts of data that could be used in food safety risk assessments are available in different database. However, this steady increase of data has not been always followed by an improvement in the ways to easily access these data, provide data traceability, or offer easy data reuse. To tackle these challenges, it is recommended that data for risk assessments must follow the FAIR principles, i.e., data must be findable, accessible, interoperable, and reusable. Based on publicly available databases and open-source software tools, this project has been attempting to provide a proof of concept to show how using custom code and alternative approaches could improve some characteristics of well-known databases, including OpenFoodTox and the Seafood database. The use of platforms such as GitHub or Zenodo could make the data more findable and interoperable. The creation of web applications with Shiny could increase the accessibility to the data and make easy interaction between databases. The reusability was obtained through the selection of the appropriate formats for the data downloaded and the application of adequate systems to ensure traceability. Following these FAIR principles in the different databases is an essential step to ensuring the success of the future risk\u2013benefit assessment, by offering more timely results with adequate spending of human and economic resources.\n\nAcknowledgements \nThe authors would like to thank Mauricio Munera, Ole Jakob N\u00f8stbakken, Arne Duinker, Livar Fr\u00f8yland and Gro-Ingunn Hemre.\n\nFunding \nThis report is funded by EFSA as part of the EU-FORA program.\n\nDeclaration of interest \nIf you wish to access the declaration of interests of any expert contributing to an EFSA scientific assessment, please contact\u2009interestmanagement at efsa dot europa dot eu.\n\nReferences \n\n\n\u2191 Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, I. Jsbrand Jan; Appleton, Gabrielle; Axton, Myles; Baak, Arie; Blomberg, Niklas; Boiten, Jan-Willem et al. (15 March 2016). \"The FAIR Guiding Principles for scientific data management and stewardship\". Scientific Data 3: 160018. doi:10.1038\/sdata.2016.18. ISSN 2052-4463. PMC 4792175. PMID 26978244. https:\/\/pubmed.ncbi.nlm.nih.gov\/26978244 .   \n \n\n\u2191 VKM; Andersen, L.F.; Berstad, P. et al. (2022). VKM Report 2022: 17 - Benefit and risk assessment of fish in the Norwegian diet. Norwegian Scientific Committee for Food and Environment (VKM). pp. 1\u20131072. ISBN 9788282593922. ISSN 2535-4019. https:\/\/vkm.no\/english\/riskassessments\/allpublications\/benefitandriskassessmentoffishinthenorwegiandiet.4.7b65040716afa427d7ec5d3a.html .   \n \n\n\u2191 3.0 3.1 3.2 3.3 R Foundation (2021). \"The R Project for Statistical Computing\". R Foundation. https:\/\/www.r-project.org\/ .   \n \n\n\u2191 4.0 4.1 4.2 Dorne, J.L.C.M.; Richardson, J.; Livaniou, A.; Carnesecchi, E.; Ceriani, L.; Baldin, R.; Kovarich, S.; Pavan, M. et al. (1 January 2021). \"EFSA\u2019s OpenFoodTox: An open source toxicological database on chemicals in food and feed and its future developments\" (in en). Environment International 146: 106293. doi:10.1016\/j.envint.2020.106293. https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0160412020322480 .   \n \n\n\u2191 5.0 5.1 Carnesecchi, Edoardo; Mostrag, Aleksandra; Ciacci, Andrea; Roncaglioni, Alessandra; Tarkhov, Aleksey; Gibin, Davide; Sartori, Luca; Benfenati, Emilio et al.. (13 September 2023), \"OpenFoodTox: EFSA's chemical hazards database\" (in en), Zenodo (Zenodo), doi:10.5281\/zenodo.780543, https:\/\/zenodo.org\/record\/780543 . Retrieved 2023-12-12   \n \n\n\u2191 6.0 6.1 Institute of Marine Research (2022). \"Seafood Data\". Havforskningsinstituttet. https:\/\/sjomatdata.hi.no\/ . Retrieved 01 March 2022 .   \n \n\n\u2191 Hackenberger, Branimir K. (1 February 2020). \"R software: unfriendly but probably the best\". Croatian Medical Journal 61 (1): 66\u201368. doi:10.3325\/cmj.2020.61.66. ISSN 0353-9504. PMC PMC7063554. PMID 32118381. https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7063554\/ .   \n \n\n\u2191 Giorgi, Federico M.; Ceraolo, Carmine; Mercatelli, Daniele (27 April 2022). \"The R Language: An Engine for Bioinformatics and Data Science\" (in en). Life 12 (5): 648. doi:10.3390\/life12050648. ISSN 2075-1729. PMC PMC9148156. PMID 35629316. https:\/\/www.mdpi.com\/2075-1729\/12\/5\/648 .   \n \n\n\u2191 \"R Studio IDE\". Posit Software, PBC. 2022. https:\/\/posit.co\/products\/open-source\/rstudio\/ .   \n \n\n\u2191 Chang, W.; Cheng, J.; Allaire, J.J. et al. (2021). \"Shiny: web application framework for R. R package version 1.1\". The Comprehensive R Archive Network. Institute for Statistics and Mathematics of WU. https:\/\/cran.r-project.org\/package=shiny .   \n \n\n\u2191 \"GitHub\". GitHub, Inc.. 2022. https:\/\/github.com\/ . Retrieved 21 July 2022 .   \n \n\n\u2191 Pineda-Pampliega, J. (31 July 2022). \"J-Pineda-Pampliega \/ EU_FORA_Project\". GitHub, Inc.. https:\/\/github.com\/J-Pineda-Pampliega\/EU_FORA_Project .   \n \n\n\u2191 13.0 13.1 European Organization For Nuclear Research; OpenAIRE (2013). \"Zenodo: Research. Shared.\" (in en). Zenodo. doi:10.25495\/7GXK-RD71. https:\/\/www.zenodo.org\/ .   \n \n\n\u2191 14.0 14.1 VKM; Bruzell, E.; Carlsen, M.H. et al. (2022). VKM Report 2022: 10 - Risk-benefit assessment of sunscreen. Vitenskapskomiteen for mat og milj\u00f8 (VKM). pp. 1\u2013473. ISBN 9788282593847. ISSN 2535-4019. https:\/\/vkm.no\/english\/riskassessments\/allpublications\/riskbenefitassessmentofuseofsunscreen.4.13dd6752161d1e853a116433.html .   \n \n\n\u2191 15.0 15.1 Norwegian Scientific Committee For Food And Environment (VKM) (6 April 2022), \"Datasets and R-codes complementing the Opinion of the Norwegian Scientific Committee for Food and Environment (VKM) \"Risk-Benefit Assessment of Sunscreen\"\" (in en), Zenodo (Zenodo), doi:10.5281\/zenodo.6414372, https:\/\/zenodo.org\/record\/6414372 . Retrieved 2023-12-12   \n \n\n\u2191 European Food Safety Authority (3 April 2023). \"Chemical Monitoring Reporting (SSD2)\" (in en). Zenodo. doi:10.5281\/ZENODO.2543210. https:\/\/zenodo.org\/record\/2543210 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation and updates to spelling and grammar. In some cases important information was missing from the references, and that information was added. The original has a blank \"1 Introduction\" section; the publisher was contacted to see whether this was in error or not, but for this version it was omitted. No other changes have been made, in accord with the \"NoDerivs\" portion of the license.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\">https:\/\/www.limswiki.org\/index.php\/Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood<\/a>\nCategories: LIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on food and nutrition informaticsNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 12 December 2023, at 18:31.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 471 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","301f921faedd16dc2518b8927b0806b6_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood rootpage-Journal_Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Developing a framework for open and FAIR data management practices for next generation risk- and benefit assessment of fish and seafood<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Risk_assessment\" title=\"Risk assessment\" class=\"wiki-link\" data-key=\"e06196a3e3b70b62af61a54e93579f37\">Risk and risk\u2013benefit assessments<\/a> of food are complex exercises, in which access to and use of several disconnected individual stand-alone <a href=\"https:\/\/www.limswiki.org\/index.php\/Database\" title=\"Database\" class=\"wiki-link\" data-key=\"ac630f0b5e30cbe7fed1422999c2baad\">databases<\/a> is required to obtain hazard and exposure information. Data obtained from such databases ideally should be in line with the <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR principles<\/a>, i.e. the data must be findable, accessible, interoperable, and reusable. However, often cases are encountered when one or more of these principles are not followed. In this project, we set out to assess if existing commonly used databases in risk assessment are in line with the FAIR principles. We also investigated how access, interoperability, and reusability of data could be improved. We used the OpenFoodTox and the Seafood database as examples and showed how commonly used freely available <a href=\"https:\/\/www.limswiki.org\/index.php\/Open-source_software\" class=\"mw-redirect wiki-link\" title=\"Open-source software\" data-key=\"c64f7db2bde1cdf753044221b64c0909\">open-source tools<\/a> and repositories can be implemented in the data extraction process of risk assessments to increase data reusability and crosstalk across different databases.\n<\/p><p><b>Keywords<\/b>: FAIR, food safety, risk assessment, OpenFoodTox, Seafood database, R, Shiny, Zenodo\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Description_of_work_program\">Description of work program<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Aims\">Aims<\/span><\/h3>\n<p>This project assessed how to apply <a href=\"https:\/\/www.limswiki.org\/index.php\/Journal:The_FAIR_Guiding_Principles_for_scientific_data_management_and_stewardship\" title=\"Journal:The FAIR Guiding Principles for scientific data management and stewardship\" class=\"wiki-link\" data-key=\"e5903ddcc7734415af1d91fcd258da90\">FAIR data principles<\/a><sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup> in <a href=\"https:\/\/www.limswiki.org\/index.php\/Risk_assessment\" title=\"Risk assessment\" class=\"wiki-link\" data-key=\"e06196a3e3b70b62af61a54e93579f37\">risk and risk\u2013benefit assessments<\/a> of food. Focusing on key <a href=\"https:\/\/www.limswiki.org\/index.php\/Database\" title=\"Database\" class=\"wiki-link\" data-key=\"ac630f0b5e30cbe7fed1422999c2baad\">databases<\/a> recently used in a risk\u2013benefit assessment of fish and seafood in the Norwegian diet<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup>, the OpenFoodTox and the Seafood database, we aimed to demonstrate how <a href=\"https:\/\/www.limswiki.org\/index.php\/Open-source_software\" class=\"mw-redirect wiki-link\" title=\"Open-source software\" data-key=\"c64f7db2bde1cdf753044221b64c0909\">open-source software<\/a> tools can be used to make data stored in publicly available repositories more findable, accessible, interoperable, and reusable.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Methods\">Methods<\/span><\/h3>\n<p>Using the <a href=\"https:\/\/www.limswiki.org\/index.php\/R_(programming_language)\" title=\"R (programming language)\" class=\"wiki-link\" data-key=\"1b0aa598f071aca4c5b4ee08d8bb2bde\">programming language R<\/a><sup id=\"rdp-ebb-cite_ref-:0_3-0\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup> and data obtained from the European Food Safety Authority (EFSA) OpenFoodTox Tool<sup id=\"rdp-ebb-cite_ref-:1_4-0\" class=\"reference\"><a href=\"#cite_note-:1-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_5-0\" class=\"reference\"><a href=\"#cite_note-:2-5\">[5]<\/a><\/sup> and from the Institute of Marine Research (IMR) Seafood database<sup id=\"rdp-ebb-cite_ref-:3_6-0\" class=\"reference\"><a href=\"#cite_note-:3-6\">[6]<\/a><\/sup>, we assessed if programmatic optimization of access and the creation of a web-tool for selection and merging of subsets of the stored data improved findability, accessibility, interoperability, and reusability of the data. In this section, a brief description of both data and tools used is provided.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"R\">R<\/span><\/h4>\n<p>The programming language and environment R has been designed for the statistical analysis of data and the creation of graphics.<sup id=\"rdp-ebb-cite_ref-:0_3-1\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup> Over the past years, R has increasingly gained interest in the scientific research community<sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> as it is effective for data handling and includes many tools for basic and advanced <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_analysis\" title=\"Data analysis\" class=\"wiki-link\" data-key=\"545c95e40ca67c9e63cd0a16042a5bd1\">data analysis<\/a>.<sup id=\"rdp-ebb-cite_ref-:0_3-2\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup> R is a well-developed non-static language, which means that its base features can easily be extended via packages that can provide new functions and functionalities for different data science challenges, including <a href=\"https:\/\/www.limswiki.org\/index.php\/Bioinformatics\" title=\"Bioinformatics\" class=\"wiki-link\" data-key=\"8f506695fdbb26e3f314da308f8c053b\">bioinformatics<\/a> and <a href=\"https:\/\/www.limswiki.org\/index.php\/Data_mining\" title=\"Data mining\" class=\"wiki-link\" data-key=\"be09d3680fe1608addedf6f62692ee47\">data mining<\/a>.<sup id=\"rdp-ebb-cite_ref-8\" class=\"reference\"><a href=\"#cite_note-8\">[8]<\/a><\/sup> In addition to this, R is supported by a big open-source community actively using this language and continuously adding new functionalities. R is licensed under the terms of the Free Software Foundation's GNU General Public License in source code form.<sup id=\"rdp-ebb-cite_ref-:0_3-3\" class=\"reference\"><a href=\"#cite_note-:0-3\">[3]<\/a><\/sup> To facilitate programming with R, we used RStudio, an integrated development environment for R.<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Shiny\">Shiny<\/span><\/h4>\n<p>As commented above, R can be expanded through packages, including one commonly used one called Shiny.<sup id=\"rdp-ebb-cite_ref-10\" class=\"reference\"><a href=\"#cite_note-10\">[10]<\/a><\/sup> This package was designed with the idea of creating interactive web applications which use R in the backend. While the creator of a web-based Shiny-tool does need to know R, the end user of the web application created with Shiny does not need to have any knowledge of R. In addition to local installations of R and Shiny, Shiny web app also can be stored on a server, which users can access through their web browser. In both cases, the appearance and functionalities of the applications are the same, and the underlying R code can be shared freely.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Git_and_GitHub\">Git and GitHub<\/span><\/h4>\n<p>Git is a <a href=\"https:\/\/www.limswiki.org\/index.php\/Version_control\" title=\"Version control\" class=\"wiki-link\" data-key=\"81823f6b21d385f8db9ac0a17b571cc1\">version control<\/a> system designed to allow different users to work on the same programming project, ensuring the traceability of progress and changes in the project. One of the most widely used providers of internet hosting for software development and version control using Git is GitHub.<sup id=\"rdp-ebb-cite_ref-11\" class=\"reference\"><a href=\"#cite_note-11\">[11]<\/a><\/sup> GitHub implements Git and offers a free version, in which users can host different smaller projects and scripts, providing an easy way to share code created in R and other programming languages on the web. The scripts generated during this project will be hosted and accessible on GitHub in <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/J-Pineda-Pampliega\/EU_FORA_Project\" target=\"_blank\">this repository<\/a>.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Zenodo\"><i>Zenodo<\/i><\/span><\/h4>\n<p>Under the European OpenAIRE program, and with the idea of championing the sharing of scientific data, the <i>Zenodo<\/i><sup id=\"rdp-ebb-cite_ref-:4_13-0\" class=\"reference\"><a href=\"#cite_note-:4-13\">[13]<\/a><\/sup> open repository was developed and operated by CERN.<sup id=\"rdp-ebb-cite_ref-:4_13-1\" class=\"reference\"><a href=\"#cite_note-:4-13\">[13]<\/a><\/sup> This open-source repository was developed for scientific data in a broad way, allowing to deposit not only research papers, but also data sets, software, reports, supplementary data and any other research-related digital artifacts. Submissions to Zenodo obtain a persistent digital object identifier (DOI), which facilitates the citation of the stored items and allows the sharing of data prior to their publication in peer-reviewed journals.\n<\/p><p>For a speedy exchange of evidence and supporting materials which could be used in food and feed safety risk assessments, EFSA has created a curated open repository called the Knowledge Junction within <i>Zenodo<\/i>. In addition to EFSA, several other institutions use Knowledge Junctions to share different data related to food security. For example, The Norwegian Scientific Committee for Food and Environment (VKM), which is part of this project, uses this <i>Zenodo<\/i> repository to upload finished reports (i.e., risk assessment and risk\u2013benefit assessment) and supplementary materials of interest (i.e., literature searches, datasets, codes, etc.). To date, for VKM, the most recent example of the use of <i>Zenodo<\/i> is the opinion on the \"Risk-Benefit Assessment of Sunscreen\"<sup id=\"rdp-ebb-cite_ref-:5_14-0\" class=\"reference\"><a href=\"#cite_note-:5-14\">[14]<\/a><\/sup> For this opinion, the fellow Javier Pineda-Pampliega contributed to the preparation of the public sharing of the report's supplementary material, including datasets and R codes currently hosted on the VKM Knowledge Junction.<sup id=\"rdp-ebb-cite_ref-:6_15-0\" class=\"reference\"><a href=\"#cite_note-:6-15\">[15]<\/a><\/sup>\n<\/p><p><i>Zenodo<\/i> recently implemented the possibility to import GitHub workspaces; it now is possible to host completed GitHub projects also on <i>Zenodo<\/i>. This offers the advantage of obtaining a DOI for one's code, which simplifies the traceability and proper citation of code used to create the results.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"OpenFoodTox\">OpenFoodTox<\/span><\/h4>\n<p>The EFSA's Chemical Hazards Database, OpenFoodTox<sup id=\"rdp-ebb-cite_ref-:1_4-1\" class=\"reference\"><a href=\"#cite_note-:1-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_5-1\" class=\"reference\"><a href=\"#cite_note-:2-5\">[5]<\/a><\/sup>, is a structured database summarizing the outcomes of hazard identification and characterization for human and animal health and for the environment. It includes all regulated products and contaminants and provides open-source data for the (1) substance characterization, (2) links to EFSA outputs, and the values of (3) reference points, (4) reference values, and (5) genotoxicity. This database has become an essential tool for risk assessors and has provided the basis for the development and implementation of new approach methodologies (NAMs) in food and feed safety research. OpenFoodTox is hosted both on the EFSA webpage (as an <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.efsa.europa.eu\/en\/microstrategy\/openfoodtox\" target=\"_blank\">interactive web tool<\/a>) and on <i>Zenodo<\/i> in the EFSA Knowledge Junction.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Seafood_database\">Seafood database<\/span><\/h4>\n<p>The Institute of Marine Research in Norway routinely collects samples of key marine species for national and international monitoring programs. Their <a href=\"https:\/\/www.limswiki.org\/index.php\/ISO\/IEC_17025\" title=\"ISO\/IEC 17025\" class=\"wiki-link\" data-key=\"0a89cebb34370dd860cce86881cbf29c\">ISO\/IEC 17025<\/a> accredited <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratories<\/a> perform analyses of contaminants and nutrients using state-of-the-art methods. All the data generated, comprising multiple data points for over 25,000 individuals collected over a period of up to 15\u2009years, are aggregated in a large in-house database. This database can be accessed freely through the online Seafood database portal<sup id=\"rdp-ebb-cite_ref-:3_6-1\" class=\"reference\"><a href=\"#cite_note-:3-6\">[6]<\/a><\/sup>, where the user can select between fish, shellfish, and seaweed divided by wild or farmed, and even prepared products, which can be found in Norwegian supermarkets. The database holds data of both Nutrients (separated into five categories: Amino acids, Fatty acids, Macro nutrients, Minerals, and Trace elements and Vitamins) and Contaminants (separated into four categories: Drug residues, Heavy metals, Organic pollutants, and Other undesirable substances).\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Activities\">Activities<\/span><\/h3>\n<p>With the aim to investigate the application of FAIR data principles in risk\u2013benefit assessment of seafood, it was essential to evaluate opportunities and limitations in the OpenFoodTox and the Seafood database. Once evaluated, we developed publicly available R and Shiny code, which attempts to address potential limitations found and to add new functionalities for sub-setting and improved crosstalk between hazard and occurrence data repositories.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Evaluation_and_actions_on_the_OpenFoodTox_database\">Evaluation and actions on the OpenFoodTox database<\/span><\/h4>\n<p>The OpenFoodTox database can be used in two different ways. The first (1) option is through the EFSA-hosted web application. The EFSA-hosted web application of the OpenFoodTox tool presents a classical interface, where different compounds can be searched by name. When searching, selected substances appear in five different categories of results: Substance characterization, EFSA outputs, Reference points, Reference values, and Genotoxicity. The resulting output represents the main limitation, as each category only can be downloaded individually (either in pdf, csv or xlsx format). In other words, after a search, the users need to download five different files and manually merge the data.\n<\/p><p>The second (2) option to access data is to download the entire OpenFoodTox database in xlsx format (Microsoft Excel Open XML Spreadsheet) from <i>Zenodo<\/i>. The data comprises five individual spreadsheets providing data on (1) substance characterization, (2) EFSA outputs, (3) reference points, (4) reference values, and (5) genotoxicity results. There is another \u201ccomplete\u201d spreadsheet, which is a combination of the five spreadsheets commented above (each one in a different tab) in addition to a dictionary spreadsheet.<sup id=\"rdp-ebb-cite_ref-:1_4-2\" class=\"reference\"><a href=\"#cite_note-:1-4\">[4]<\/a><\/sup> This makes data interoperable. However, as was described in the example above, to work with subsets of data spreading across the different spreadsheets, data aggregation and merging again must be performed manually using additional software for tabular data files. The most common among these tools is Excel, which is part of the commercial Microsoft Office Suite, but other free alternatives such as OpenOffice, LibreOffice, or online tools such as Google Drive Sheets also can be used. In any case, for merging the large individual datasets, the user needs to be proficient in the terminology of terms and use of spreadsheet tools for efficient filtering, merging, and sub-setting of the data in the desired format.\n<\/p><p>To evaluate potential complementary solutions to access, subset, and merge data stored in the EFSA OpenFoodTox database on <i>Zenodo<\/i>, in the present project using R (vers. 4.1.2) running in RStudio (vers. 2022.2.3.492), functions (i.e., pieces of code which work together for a common purpose) were written using R markdown, being characterized by the following features:\n<\/p>\n<ul><li>Data can be downloaded directly from the OpenFoodTox URL to eliminate the need for the user to search for and\/or download the data in Excel.<\/li>\n<li>The database offers the possibility to search for up to 15 elements at the same time, with an implemented control of any repeated entry values. In the case of repetition, the repeated value is indicated, but not considered in the search.<\/li>\n<li>If a search is entered for a general term and several compounds appear in the database, an indication for the number of the different compounds is provided. For example, the search \u201clead\u201d returns four results, because the components identified in the database are: \u201cLead,\u201d \u201cLead (II),\u201d \u201cLead sulphate,\u201d and \u201cTetraethyl lead.\u201d<\/li>\n<li>To increase the (computational) reusability of the data in automated analysis pipelines, the information is downloaded in a plain text file (txt). This is a standard format of plain text that can be open in many different software tools. However, also the possibility to download data in csv (comma-separated values) is provided.<\/li>\n<li>To increase traceability information on the OpenFoodTox database version and the date and time when the file was created are automatically appended to the name of the downloaded file.<\/li><\/ul>\n<p>After the creation of the R script, to increase the number of potential users of this tool, we assessed if an additional approach that does not require knowledge and use of R could be developed. For this, the creation of a web-based application using Shiny was attempted. The use of Shiny opens the possibility to access and subset OpenFoodTox data using an internet browser only and also allows for the implementation of additional functions into our R code. That is, in addition to the characteristics of the function described above, the Shiny application developed in this project (Figure\u20091) has the following extra functions:\n<\/p>\n<ul><li>Increased traceability: an indication of which version of the OpenFoodTox database used has been included. At the time of writing this report, the fifth iteration of the OpenFoodTox was released (and published on <i>Zenodo<\/i> on 16 June 2022).<\/li>\n<li>Implementation of interactive tables, allowing to filter results in real-time.<\/li>\n<li>Initially, tables will show all columns in the dataset, but tools for sub-setting and selection of individual columns to be retained are provided. This functionality makes it easier to take snapshots only of the columns of interest for further uses.<\/li>\n<li>With one of the objectives of this project being to facilitate the interaction and crosstalk between databases of interest to risk assessors, the option to add links to PubChem for each selected compound was implemented. PubChem is a database of chemical molecules and their activities, maintained by the National Centre for Biotechnology Information (NCBI) of the United States.<\/li><\/ul>\n<p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Pineda-Pampliega_EFSAJournal2023_20-S2.png\" class=\"image wiki-link\" data-key=\"acaec37c6ebb267870ac36fdc38b36ce\"><img alt=\"Fig1 Pineda-Pampliega EFSAJournal2023 20-S2.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8f\/Fig1_Pineda-Pampliega_EFSAJournal2023_20-S2.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 1.<\/b> User interface of the application designed with Shiny to access and work with the OpenFoodTox database.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span class=\"mw-headline\" id=\"Evaluation_and_actions_on_the_Seafood_database\">Evaluation and actions on the Seafood database<\/span><\/h4>\n<p>The Seafood database contains information collected over a period of up to 15\u2009years, with different data points for over 25,000 individual samples. This represents a comprehensive data repository of nutrients and contaminants in fish and seafood comprising more than 700,000 records. Due to the experience gained in the previous work with the OpenFoodTox tool, we directly designed a web application using Shiny to work with the Seafood database. As with OpenFoodTox, the first step was to evaluate the potential limitations and challenges of the existing system to access the database, which for the general public currently occurs via a <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/sjomatdata.hi.no\/\" target=\"_blank\">web interface<\/a>. Having gotten access to the data underlying the web-based tool hosted at the IMR, in the present project, we assessed alternative solutions by addressing issues of the current web application using R and Shiny (Figure\u20092). We also set out to include additional functions potentially of use to risk assessors. The Seafood database Shiny web application is characterized by the following features:\n<\/p>\n<ul><li>The publicly available web interface of the Seafood database is not version controlled. Furthermore, it is not updated with a defined periodicity, as it depends on data from different projects which are made available at different times throughout the year. This could be a challenge for the traceability of results and repeatability of analysis. As an attempted solution, we suggested for the database to be version controlled and to be updated at defined intervals only, e.g., annually. In addition, we implemented code to show a message highlighting the date when the database was last updated (Figure\u20093A). In a new version of our code, we also will include a button in the Shiny app to select which version of data the user wants to retrieve (i.e., to select the data regarding the day of the update).<\/li><\/ul>\n<ul><li>One common situation users of the Seafood database often encounter is the interest in the comparison of the presence of different compounds in different species or products. In the current web interface of the Seafood database, to check all the substances evaluated, it is only possible to select species or products one by one. In addition, to compare the concentration of different substances between species or products, the maximum number of substances is 10 by search. This makes it difficult to prepare a subset of desired data for further comparisons downstream. As a solution, in the prepared Shiny-based application, the user can select up to 15 species or products simultaneously, with information on all nutrients or contaminants. In addition, if the user is interested in only a particular set of compounds, up to 15 nutrients and another 15 contaminants can be selected.<\/li><\/ul>\n<ul><li>The R of FAIR means \"reusability\" of the data. This implies that for performing additional data analyses not yet envisaged by the data providers, users of a database should be able to access data presented in a non-aggregated way. Currently, the Seafood database does not provide this option; the results of searches are presented as numerical summaries (with sample size, mean, minimum and maximum values for each parameter). This makes it difficult to reuse this data in new evaluations. In the present project, at the IMR, access to all data contained in the Seafood database was provided and two tables are presented in the Shiny application developed: one with a summary of the data (as in the IMR web interface), and another table with the non-aggregated data (Figure\u20093B).<\/li><\/ul>\n<ul><li>Continuing with reusability, in addition to access to non-aggregated data, the format in which data can be downloaded by the user is also important to consider. The Seafood database allows downloading in Portable Document Format (pdf) format only. This format is widely used to present documents which include text and images and has the advantage of being immutable, i.e., independent of application software, hardware, and operating systems, and documents are always displayed in the same way. However, this characteristic is a weakness for sharing data intended to be used in downstream analyses. For this, the data needs to be reusable and interoperable. The newly developed Shiny application allows for the download of selected data in txt or csv formats, being the most typical format to share data which could be used for further analysis. Both data from the summary table and the non-aggregated data can be downloaded in the desired formats. In addition, to ensure traceability when files are downloaded, the name consists of the date and the time of the creation and also incorporates the version of the database (the date of the latest update of the data; Figure\u20093C).<\/li><\/ul>\n<p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg\" class=\"image wiki-link\" data-key=\"4e7d1b823e15bbd334304463066e6068\"><img alt=\"Fig2 Pineda-Pampliega EFSAJournal2023 20-S2.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/6\/6b\/Fig2_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 2.<\/b> User interface of the application designed with Shiny to access and work with the Seafood database.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg\" class=\"image wiki-link\" data-key=\"df006beedfca42eea914e63b78986653\"><img alt=\"Fig3 Pineda-Pampliega EFSAJournal2023 20-S2.jpg\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/b\/b8\/Fig3_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Figure 3.<\/b> Results of the search in the Shiny application designed to work with the Seafood database. (A) Version of the database used, number of registers eliminated for errors and control of repeated inputs. (B) Examples of the summary and non-aggregated tables. (C) Options to download the results and the name of the file. (D) Options to control left-censored data.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>In addition to addressing specific limitations of the Seafood database listed above, we added extra functionalities in the Shiny code that we considered could be useful for the users:\n<\/p>\n<ul><li>An increase in the number of inputs could entail an increase in the number of mistakes due to a repetition of terms in a search. To avoid this, our application indicates if a value is repeated but, even more important, the repeated value is not considered for the search, showing the same results as if the value were introduced only once (Figure\u20093A).<\/li><\/ul>\n<ul><li>Despite <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_control\" title=\"Quality control\" class=\"wiki-link\" data-key=\"1e0e0c2eb3e45aff02f5d61799821f0f\">quality control<\/a> measures in place, databases may contain erroneous entries (e.g., the inclusion of text in numeric rows and vice versa, or empty values). The Shiny application developed here includes a filter to flag and eliminate any rows which potentially contain mistakes. In addition, an indication of the number of eliminated entries is provided (Figure\u20093A).<\/li><\/ul>\n<ul><li>During the quantification of substances, it is possible that values are below the limit of quantification (LOQ) of a specific analysis. The LOQ is the lowest concentration of an analyte that can be quantified with a given certainty. In the Seafood database, values for contaminants below the LOQ are routinely reported using \"Upper bound\" summation where the LOQ is used as if it were the actual concentration measured. This may result in many data points of the same value, and such data sets are referred to as \"Left censored.\" The web interface of the Seafood database indicates which values are below the LOQ, and also lists the numerical value of the respective LOQ for each method and compound in question. Additionally, the Shiny application developed here allows for further modification of the data and the possibility to calculate \"Lower bound\" (substitute values < LOQ by 0) or \"Upper bound\" (substitute values < LOQ with the actual LOQ) (Figure\u20093D).<\/li><\/ul>\n<ul><li>To increase data interoperability and crosstalk between different databases, common unique identifiers must be found. In our opinion, codes of the chemical substances in question provide a good option. Different unique identifiers do exist including InChI (International Chemical Identifier) or SMILES (Simplified Molecular Input Line Entry System), which both are included in the Seafood database. In addition to these, the <tt>paramCode<\/tt> was added in the Shiny App, which is suggested by EFSA to be used when reporting on different substances in food and feed.<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup><\/li><\/ul>\n<p>One general challenge we found when working with the Seafood database is that its web interface is designed to share aggregated occurrence data with the public; access to non-aggregated data is limited to in-house use and can be made available on request to risk assessors. Hazard data from OpenFoodTox on the other hand can be accessed both via a web interface for quick screening of information and through a dedicated <i>Zenodo<\/i> repository for bulk download and direct reuse (e.g., in exposure calculations for risk assessments). In addition, data is version controlled and linked to persistent citable DOIs. This, in our view, strongly facilitates the timely dissemination of information and the reproducibility of the data analysis performed. The benefits of publishing data on an open repository such as <i>Zenodo<\/i> sparked a discussion at the IMR on how seafood data could be made available to a wider audience in the future, which is an important first step towards further implementation of the FAIR data principles.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Spin_off_activities_in_implementing_FAIR_data_management_practices\">Spin off activities in implementing FAIR data management practices<\/span><\/h4>\n<p>In addition to the work described above, during the project period supporting activities were carried out to improve communication in project work relying on coding and data sharing across different work groups and institutes. Within the Marine Toxicology group at the IMR, several software tools are used to advance work on several cross-disciplinary projects. Microsoft Teams is used to allow communication between members of the group through video calls or chat. Microsoft SharePoint is used as a document repository and for interactive document creation and editing. Linking SharePoint to OneDrive, within the group R code could be developed locally using RStudio. This allowed for efficient local collaboration between members of the team. To share different elements for a project externally, in addition to Teams, GitHub accounts were set up, and using RStudio scripts created earlier, were directly uploaded. This workflow was shown to VKM, which implemented this workflow for their research in 2022<sup id=\"rdp-ebb-cite_ref-:5_14-1\" class=\"reference\"><a href=\"#cite_note-:5-14\">[14]<\/a><\/sup>, allowing them for the first time to share supplementary codes and datasheets interactively on <i>Zenodo<\/i>.<sup id=\"rdp-ebb-cite_ref-:6_15-1\" class=\"reference\"><a href=\"#cite_note-:6-15\">[15]<\/a><\/sup> Lastly, the fellow also engaged in discussions with IMR IT staff about modern software development and recent developments in micro-services architectures with standardized and structured data representation formats for sharing information between systems and services, such as JSON and XML.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Other_spin_off_activities_during_the_project\">Other spin off activities during the project<\/span><\/h4>\n<p>The performed work is not only represented in this report but was also presented on a poster at the ONE Health, Environment, Society conference in Brussels in June 2022. This conference also invited attendees to participate in a video contest, where a short summary of the project was also presented. In addition to the project work related to FAIR data management, the EU-FORA program also has offered further opportunities. Being integrated into the working group, the fellow had the opportunity to familiarize himself with a new field, participating in a paper regarding <a href=\"https:\/\/www.limswiki.org\/index.php\/Proteomics\" title=\"Proteomics\" class=\"wiki-link\" data-key=\"ac19f0aedfd86ae1fa91c52fad65ab21\">proteomics<\/a>. Finally, to continue training in food security, the fellow also carried out the training \"Risk assessment in biotechnology,\" offered by the European Commission as part of the training initiative \"Better Training for Safer Food\" (BTSF).\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions\">Conclusions<\/span><\/h2>\n<p>Large amounts of data that could be used in food safety risk assessments are available in different database. However, this steady increase of data has not been always followed by an improvement in the ways to easily access these data, provide data traceability, or offer easy data reuse. To tackle these challenges, it is recommended that data for risk assessments must follow the FAIR principles, i.e., data must be findable, accessible, interoperable, and reusable. Based on publicly available databases and open-source software tools, this project has been attempting to provide a proof of concept to show how using custom code and alternative approaches could improve some characteristics of well-known databases, including OpenFoodTox and the Seafood database. The use of platforms such as GitHub or <i>Zenodo<\/i> could make the data more findable and interoperable. The creation of web applications with Shiny could increase the accessibility to the data and make easy interaction between databases. The reusability was obtained through the selection of the appropriate formats for the data downloaded and the application of adequate systems to ensure traceability. Following these FAIR principles in the different databases is an essential step to ensuring the success of the future risk\u2013benefit assessment, by offering more timely results with adequate spending of human and economic resources.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The authors would like to thank Mauricio Munera, Ole Jakob N\u00f8stbakken, Arne Duinker, Livar Fr\u00f8yland and Gro-Ingunn Hemre.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>This report is funded by EFSA as part of the EU-FORA program.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Declaration_of_interest\">Declaration of interest<\/span><\/h3>\n<p>If you wish to access the declaration of interests of any expert contributing to an EFSA scientific assessment, please contact\u2009interestmanagement at efsa dot europa dot eu.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, I. Jsbrand Jan; Appleton, Gabrielle; Axton, Myles; Baak, Arie; Blomberg, Niklas; Boiten, Jan-Willem <i>et al.<\/i> (15 March 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/26978244\" target=\"_blank\">\"The FAIR Guiding Principles for scientific data management and stewardship\"<\/a>. <i>Scientific Data<\/i> <b>3<\/b>: 160018. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fsdata.2016.18\" target=\"_blank\">10.1038\/sdata.2016.18<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2052-4463\" target=\"_blank\">2052-4463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/4792175\/\" target=\"_blank\">4792175<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/26978244\" target=\"_blank\">26978244<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/26978244\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/26978244<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+FAIR+Guiding+Principles+for+scientific+data+management+and+stewardship&rft.jtitle=Scientific+Data&rft.aulast=Wilkinson&rft.aufirst=Mark+D.&rft.au=Wilkinson%2C%26%2332%3BMark+D.&rft.au=Dumontier%2C%26%2332%3BMichel&rft.au=Aalbersberg%2C%26%2332%3BI.+Jsbrand+Jan&rft.au=Appleton%2C%26%2332%3BGabrielle&rft.au=Axton%2C%26%2332%3BMyles&rft.au=Baak%2C%26%2332%3BArie&rft.au=Blomberg%2C%26%2332%3BNiklas&rft.au=Boiten%2C%26%2332%3BJan-Willem&rft.au=da+Silva+Santos%2C%26%2332%3BLuiz+Bonino&rft.date=15+March+2016&rft.volume=3&rft.pages=160018&rft_id=info:doi\/10.1038%2Fsdata.2016.18&rft.issn=2052-4463&rft_id=info:pmc\/4792175&rft_id=info:pmid\/26978244&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F26978244&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-2\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-2\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">VKM; Andersen, L.F.; Berstad, P. et al. 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Retrieved 01 March 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Seafood+Data&rft.atitle=&rft.aulast=Institute+of+Marine+Research&rft.au=Institute+of+Marine+Research&rft.date=2022&rft.pub=Havforskningsinstituttet&rft_id=https%3A%2F%2Fsjomatdata.hi.no%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-7\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-7\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hackenberger, Branimir K. (1 February 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7063554\/\" target=\"_blank\">\"R software: unfriendly but probably the best\"<\/a>. <i>Croatian Medical Journal<\/i> <b>61<\/b> (1): 66\u201368. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3325%2Fcmj.2020.61.66\" target=\"_blank\">10.3325\/cmj.2020.61.66<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0353-9504\" target=\"_blank\">0353-9504<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7063554\/\" target=\"_blank\">PMC7063554<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32118381\" target=\"_blank\">32118381<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7063554\/\" target=\"_blank\">https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7063554\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=R+software%3A+unfriendly+but+probably+the+best&rft.jtitle=Croatian+Medical+Journal&rft.aulast=Hackenberger&rft.aufirst=Branimir+K.&rft.au=Hackenberger%2C%26%2332%3BBranimir+K.&rft.date=1+February+2020&rft.volume=61&rft.issue=1&rft.pages=66%E2%80%9368&rft_id=info:doi\/10.3325%2Fcmj.2020.61.66&rft.issn=0353-9504&rft_id=info:pmc\/PMC7063554&rft_id=info:pmid\/32118381&rft_id=https%3A%2F%2Fwww.ncbi.nlm.nih.gov%2Fpmc%2Farticles%2FPMC7063554%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-8\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-8\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Giorgi, Federico M.; Ceraolo, Carmine; Mercatelli, Daniele (27 April 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2075-1729\/12\/5\/648\" target=\"_blank\">\"The R Language: An Engine for Bioinformatics and Data Science\"<\/a> (in en). <i>Life<\/i> <b>12<\/b> (5): 648. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Flife12050648\" target=\"_blank\">10.3390\/life12050648<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2075-1729\" target=\"_blank\">2075-1729<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9148156\/\" target=\"_blank\">PMC9148156<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/35629316\" target=\"_blank\">35629316<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2075-1729\/12\/5\/648\" target=\"_blank\">https:\/\/www.mdpi.com\/2075-1729\/12\/5\/648<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+R+Language%3A+An+Engine+for+Bioinformatics+and+Data+Science&rft.jtitle=Life&rft.aulast=Giorgi&rft.aufirst=Federico+M.&rft.au=Giorgi%2C%26%2332%3BFederico+M.&rft.au=Ceraolo%2C%26%2332%3BCarmine&rft.au=Mercatelli%2C%26%2332%3BDaniele&rft.date=27+April+2022&rft.volume=12&rft.issue=5&rft.pages=648&rft_id=info:doi\/10.3390%2Flife12050648&rft.issn=2075-1729&rft_id=info:pmc\/PMC9148156&rft_id=info:pmid\/35629316&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2075-1729%2F12%2F5%2F648&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/posit.co\/products\/open-source\/rstudio\/\" target=\"_blank\">\"R Studio IDE\"<\/a>. Posit Software, PBC. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/posit.co\/products\/open-source\/rstudio\/\" target=\"_blank\">https:\/\/posit.co\/products\/open-source\/rstudio\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=R+Studio+IDE&rft.atitle=&rft.date=2022&rft.pub=Posit+Software%2C+PBC&rft_id=https%3A%2F%2Fposit.co%2Fproducts%2Fopen-source%2Frstudio%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-10\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-10\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Chang, W.; Cheng, J.; Allaire, J.J. et al. (2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/cran.r-project.org\/package=shiny\" target=\"_blank\">\"Shiny: web application framework for R. R package version 1.1\"<\/a>. <i>The Comprehensive R Archive Network<\/i>. Institute for Statistics and Mathematics of WU<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/cran.r-project.org\/package=shiny\" target=\"_blank\">https:\/\/cran.r-project.org\/package=shiny<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Shiny%3A+web+application+framework+for+R.+R+package+version+1.1&rft.atitle=The+Comprehensive+R+Archive+Network&rft.aulast=Chang%2C+W.%3B+Cheng%2C+J.%3B+Allaire%2C+J.J.+et+al.&rft.au=Chang%2C+W.%3B+Cheng%2C+J.%3B+Allaire%2C+J.J.+et+al.&rft.date=2021&rft.pub=Institute+for+Statistics+and+Mathematics+of+WU&rft_id=https%3A%2F%2Fcran.r-project.org%2Fpackage%3Dshiny&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-11\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-11\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/\" target=\"_blank\">\"GitHub\"<\/a>. GitHub, Inc.. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/\" target=\"_blank\">https:\/\/github.com\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 21 July 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=GitHub&rft.atitle=&rft.date=2022&rft.pub=GitHub%2C+Inc.&rft_id=https%3A%2F%2Fgithub.com%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Pineda-Pampliega, J. (31 July 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/github.com\/J-Pineda-Pampliega\/EU_FORA_Project\" target=\"_blank\">\"J-Pineda-Pampliega \/ EU_FORA_Project\"<\/a>. GitHub, Inc.<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/github.com\/J-Pineda-Pampliega\/EU_FORA_Project\" target=\"_blank\">https:\/\/github.com\/J-Pineda-Pampliega\/EU_FORA_Project<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=J-Pineda-Pampliega+%2F+EU_FORA_Project&rft.atitle=&rft.aulast=Pineda-Pampliega%2C+J.&rft.au=Pineda-Pampliega%2C+J.&rft.date=31+July+2022&rft.pub=GitHub%2C+Inc.&rft_id=https%3A%2F%2Fgithub.com%2FJ-Pineda-Pampliega%2FEU_FORA_Project&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-13\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_13-0\">13.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_13-1\">13.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">European Organization For Nuclear Research; OpenAIRE (2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.zenodo.org\/\" target=\"_blank\">\"Zenodo: Research. Shared.\"<\/a> (in en). <i>Zenodo<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.25495%2F7GXK-RD71\" target=\"_blank\">10.25495\/7GXK-RD71<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.zenodo.org\/\" target=\"_blank\">https:\/\/www.zenodo.org\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Zenodo%3A+Research.+Shared.&rft.jtitle=Zenodo&rft.aulast=European+Organization+For+Nuclear+Research&rft.au=European+Organization+For+Nuclear+Research&rft.au=OpenAIRE&rft.date=2013&rft_id=info:doi\/10.25495%2F7GXK-RD71&rft_id=https%3A%2F%2Fwww.zenodo.org%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-14\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_14-0\">14.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_14-1\">14.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation book\">VKM; Bruzell, E.; Carlsen, M.H. et al. (2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/vkm.no\/english\/riskassessments\/allpublications\/riskbenefitassessmentofuseofsunscreen.4.13dd6752161d1e853a116433.html\" target=\"_blank\"><i>VKM Report 2022: 10 - Risk-benefit assessment of sunscreen<\/i><\/a>. Vitenskapskomiteen for mat og milj\u00f8 (VKM). pp. 1\u2013473. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 9788282593847. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2535-4019\" target=\"_blank\">2535-4019<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/vkm.no\/english\/riskassessments\/allpublications\/riskbenefitassessmentofuseofsunscreen.4.13dd6752161d1e853a116433.html\" target=\"_blank\">https:\/\/vkm.no\/english\/riskassessments\/allpublications\/riskbenefitassessmentofuseofsunscreen.4.13dd6752161d1e853a116433.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=VKM+Report+2022%3A+10+-+Risk-benefit+assessment+of+sunscreen&rft.aulast=VKM%3B+Bruzell%2C+E.%3B+Carlsen%2C+M.H.+et+al.&rft.au=VKM%3B+Bruzell%2C+E.%3B+Carlsen%2C+M.H.+et+al.&rft.date=2022&rft.pages=pp.%26nbsp%3B1%E2%80%93473&rft.pub=Vitenskapskomiteen+for+mat+og+milj%C3%B8+%28VKM%29&rft.isbn=9788282593847&rft.issn=2535-4019&rft_id=https%3A%2F%2Fvkm.no%2Fenglish%2Friskassessments%2Fallpublications%2Friskbenefitassessmentofuseofsunscreen.4.13dd6752161d1e853a116433.html&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-15\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_15-0\">15.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_15-1\">15.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFNorwegian_Scientific_Committee_For_Food_And_Environment_.28VKM.292022\">Norwegian Scientific Committee For Food And Environment (VKM) (6 April 2022), <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/zenodo.org\/record\/6414372\" target=\"_blank\">\"Datasets and R-codes complementing the Opinion of the Norwegian Scientific Committee for Food and Environment (VKM) \"Risk-Benefit Assessment of Sunscreen\"\"<\/a> (in en), <i>Zenodo<\/i> (Zenodo), <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5281%2Fzenodo.6414372\" target=\"_blank\">10.5281\/zenodo.6414372<\/a><span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/zenodo.org\/record\/6414372\" target=\"_blank\">https:\/\/zenodo.org\/record\/6414372<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 2023-12-12<\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Datasets+and+R-codes+complementing+the+Opinion+of+the+Norwegian+Scientific+Committee+for+Food+and+Environment+%28VKM%29+%22Risk-Benefit+Assessment+of+Sunscreen%22&rft.jtitle=Zenodo&rft.aulast=Norwegian+Scientific+Committee+For+Food+And+Environment+%28VKM%29&rft.au=Norwegian+Scientific+Committee+For+Food+And+Environment+%28VKM%29&rft.date=6+April+2022&rft.pub=Zenodo&rft_id=info:doi\/10.5281%2Fzenodo.6414372&rft_id=https%3A%2F%2Fzenodo.org%2Frecord%2F6414372&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">European Food Safety Authority (3 April 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/zenodo.org\/record\/2543210\" target=\"_blank\">\"Chemical Monitoring Reporting (SSD2)\"<\/a> (in en). <i>Zenodo<\/i>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5281%2FZENODO.2543210\" target=\"_blank\">10.5281\/ZENODO.2543210<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/zenodo.org\/record\/2543210\" target=\"_blank\">https:\/\/zenodo.org\/record\/2543210<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemical+Monitoring+Reporting+%28SSD2%29&rft.jtitle=Zenodo&rft.aulast=European+Food+Safety+Authority&rft.au=European+Food+Safety+Authority&rft.date=3+April+2023&rft_id=info:doi\/10.5281%2FZENODO.2543210&rft_id=https%3A%2F%2Fzenodo.org%2Frecord%2F2543210&rfr_id=info:sid\/en.wikipedia.org:Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation and updates to spelling and grammar. In some cases important information was missing from the references, and that information was added. The original has a blank \"1 Introduction\" section; the publisher was contacted to see whether this was in error or not, but for this version it was omitted. No other changes have been made, in accord with the \"NoDerivs\" portion of the license.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104015142\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.722 seconds\nReal time usage: 0.932 seconds\nPreprocessor visited node count: 15583\/1000000\nPost\u2010expand include size: 120156\/2097152 bytes\nTemplate argument size: 35695\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 33013\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 528.651 1 -total\n 79.33% 419.403 1 Template:Reflist\n 57.79% 305.499 16 Template:Citation\/core\n 37.49% 198.214 6 Template:Cite_journal\n 15.56% 82.235 6 Template:Cite_web\n 11.97% 63.301 1 Template:Infobox_journal_article\n 11.43% 60.424 14 Template:Date\n 10.63% 56.199 1 Template:Infobox\n 9.15% 48.373 2 Template:Citation\n 7.61% 40.223 21 Template:Citation\/identifier\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14502-0!canonical and timestamp 20240104015141 and revision id 53749. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood\">https:\/\/www.limswiki.org\/index.php\/Journal:Developing_a_framework_for_open_and_FAIR_data_management_practices_for_next_generation_risk-_and_benefit_assessment_of_fish_and_seafood<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","301f921faedd16dc2518b8927b0806b6_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/8f\/Fig1_Pineda-Pampliega_EFSAJournal2023_20-S2.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/6\/6b\/Fig2_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/b\/b8\/Fig3_Pineda-Pampliega_EFSAJournal2023_20-S2.jpg"],"301f921faedd16dc2518b8927b0806b6_timestamp":1704389295,"0e82f04e7dc7215ba850cc74a3ed9e5c_type":"article","0e82f04e7dc7215ba850cc74a3ed9e5c_title":"Potency and safety analysis of hemp-derived delta-9 products: The hemp vs. cannabis demarcation problem (Johnson et al. 2023)","0e82f04e7dc7215ba850cc74a3ed9e5c_url":"https:\/\/www.limswiki.org\/index.php\/Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem","0e82f04e7dc7215ba850cc74a3ed9e5c_plaintext":"\n\nJournal:Potency and safety analysis of hemp-derived delta-9 products: The hemp vs. cannabis demarcation problemFrom LIMSWikiJump to navigationJump to searchFull article title\n \nPotency and safety analysis of hemp-derived delta-9 products: The hemp vs. cannabis demarcation problemJournal\n \nJournal of Cannabis ResearchAuthor(s)\n \nJohnson, Lee; Malone, Marc; Paulson, Erik; Swider, Josh; Marelius, David; Andersen, Susan; Black, DominicAuthor affiliation(s)\n \nCBD Oracle, Infinite Chemical Analysis LabsPrimary contact\n \nEmail: lee at cbdoracle dot comYear published\n \n2023Volume and issue\n \n5Article #\n \n29DOI\n \n10.1186\/s42238-023-00197-6ISSN\n \n2522-5782Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/jcannabisresearch.biomedcentral.com\/articles\/10.1186\/s42238-023-00197-6Download\n \nhttps:\/\/jcannabisresearch.biomedcentral.com\/counter\/pdf\/10.1186\/s42238-023-00197-6.pdf (PDF)\n\nContents \n\n1 Abstract \n2 Background \n3 Methods \n\n3.1 Sample size and product selection \n3.2 Lab analysis \n3.3 \u03949-THC conversion markers \n3.4 Trans:cis-\u03949-THC ratio \n3.5 The quantity of \u03948-THC and \u03948-iso-THC \n3.6 The quantity of cannabigerol \n3.7 Age verification checks \n3.8 Packaging and labeling \n3.9 Lab reports provided by companies \n\n\n4 Results \n\n4.1 Advertised and measured \u03949-THC potencies vs. adult-use states\u2019 standard dosage \n4.2 Potencies of other cannabinoids \n4.3 Legality of commercial hemp \u03949-THC products \n4.4 Comparison of advertised and measured \u03949-THC potency \n4.5 Impurities in \u03949-THC products \n4.6 Trans:cis-\u03949-THC ratios \n4.7 \u03948-THC + \u03948-iso-THC content of products \n4.8 CBG content of products \n4.9 Naturally occurring vs. converted \u03949-THC \n4.10 Analyzing the COAs provided by hemp-derived \u03949-THC companies \n4.11 Labeling of hemp-derived \u03949-THC products \n4.12 Age verification and child-resistant packaging for hemp-derived \u03949-THC products \n\n\n5 Discussion \n\n5.1 Limitations and implications of the research \n\n\n6 Conclusion \n7 Abbreviations, acronyms, and initialisms \n\n7.1 Supplementary information \n\n\n8 Acknowledgements \n\n8.1 Author contributions \n8.2 Funding \n8.3 Availability of data and materials \n8.4 Competing interests \n\n\n9 References \n10 Notes \n\n\n\nAbstract \nBackground: Hemp-derived delta-9-tetrahydrocannabinol (\u03949-THC) products are freely available for sale across much of the USA, but the federal legislation allowing their sale places only minimal requirements on companies. Products must contain no more than 0.3% \u03949-THC by dry weight, but no limit is placed on overall dosage, and there is no requirement that products derived from hemp-based \u03949-THC be tested. However, some states\u2014such as Colorado\u2014specifically prohibit products created by \u201cchemically modifying\u201d a natural hemp component.\nMethods: Fifty-three hemp-derived \u03949-THC products were ordered and submitted to InfiniteCAL laboratory for analysis. The lab analysis considered potency, the presence of impurities, and whether the \u03949-THC present was natural or converted from cannabidiol (CBD). The presence of age verification, company-conducted testing, and warning labels was also considered.\nResults: While 96.2% of products were under the legal \u03949-THC limit, 66.0% differed from their stated dosage by more than 10%, and although 84.9% provided a lab report to customers, 71.1% of these did not check for impurities. Additionally, 49% of products converted CBD to THC to achieve their levels, and only 15.1% performed age verification at checkout.\nConclusions: Despite some positive findings, the results show that hemp-derived \u03949-THC companies offer inaccurately labeled products that contain more THC than would be allowed in adult-use states. This raises serious issues around consumer safety, and consent when consuming intoxicating products. Steps to boost accountability for companies must be considered by either the industry or lawmakers if intoxicating hemp products are to safely remain on the market.\nKeywords: hemp, \u03949-THC, Farm Bill, Agriculture Improvement Act, cannabinoid potency\n\nBackground \nDelta-9-tetrahydrocannabinol (\u03949-THC) is the primary psychoactive component of the Cannabis sativa L. plant[1], with other cannabinoids like cannabidiol (CBD) attracting attention for their therapeutic properties[2] in recent years.[3] While both cannabinoids have medical applications, \u03949-THC has largely been associated with recreational use. Until 2012[4], the prohibition of the recreational use of cannabis in the United States has made it essentially impossible to obtain legally, except through certain medical channels.\nHowever, things changed when the Agriculture Improvement Act of 2018 (a.k.a. the \u201cFarm Bill\u201d) made industrial hemp legal at the federal level.[5] The legislation allowed for an explosion of CBD products, but there were unintended consequences. The Farm Bill removed the cannabinoids in hemp from the definition of \"marijuana\" in the Controlled Substances Act and defined hemp as containing less than 0.3% \u03949-THC by dry weight.[6] This allowed non-intoxicating CBD oils, for example, to be sold freely. However, loopholes quickly emerged, such as ignoring the matter of \u03948-THC, another psychoactive compound much like \u03949-THC except with less potent and long-lasting effects[7] and less binding affinity for the CB1 receptor.[8] Since it is a natural component of hemp, provided that products containing it have less than 0.3% \u03949-THC by dry weight, they can contain as much \u03948-THC as they want. Some states have taken action to stop the sale and distribution of \u03948-THC[6], but new loopholes (for example, the increase in products with hexahydrocannabinol [HHC][9]) are identified more quickly than lawmakers can close them.\nWhile \u03948-THC is present in negligible amounts in the Cannabis plant, virtually all products sold to consumers use \u03948-THC produced from CBD[8] by cyclization (the closure of a ring after an acid-catalyzed activation of a double bond).[10] This creates potential legal issues at the federal level (because it may render it \u201csynthetic\u201d THC), but the conversion process itself has also been a target of state-level legislation.[11][12]\nHemp-derived \u03949-THC products were devised through a very simple application of the Farm Bill\u2019s 0.3% by dry weight limit. A 10 g gummy can contain roughly 10 g \u00d7 0.3% = 0.03 g = 30 mg of \u03949-THC and still be within the legal limit. In contrast, intoxicating cannabis edibles in legal states like California and Colorado tend to contain just 5 mg or 10 mg \u03949-THC per serving.[13][14] As an unavoidable consequence of the law as it is currently written, intoxicating \u201chemp\u201d \u03949-THC products are widely available in most states.\nThere are many potential issues with this; however, the biggest is the minimal regulations imposed on these \u201chemp\u201d companies, especially in comparison to the regulations of legal cannabis markets. For instance, in California[15], each product must be lab tested for cannabinoid potency, residual pesticides, foreign material, heavy metals, microbial impurities, mycotoxins, moisture content, and residual solvents, and packaging must be child-resistant, tamper-evident, and resealable, containing a cannabis universal symbol and numerous other pieces of information, such as a batch number and a full ingredient listing. These and similar regulations protect consumers in states with legal cannabis, but are not a requirement for hemp under the Farm Bill.\nSince hemp-derived \u03949-THC products are intoxicating, many people argue that they should meet similar standards to edibles in states like California and Colorado[16], and be subject to the same requirements for things like warning labels and child-safe packaging. As with \u03948-THC products, it is also possible that some of the \u03949-THC in hemp products is created through cyclization, and consequently may be impacted by existing state legislation.\nThis study aims to investigate the hemp-derived \u03949-THC market with this in mind. In particular, we aim to determine whether companies remain within legal limits, whether the stated dosages are accurate, whether the \u03949-THC was produced by cyclization, and whether companies performed safety testing on products and made sufficient effort to prevent minors from purchasing them.\n\nMethods \nSample size and product selection \nFor the lab study and market analysis, we first identified and purchased a selection of the most popular products online from different brands. To identify brands, Google searches for \u201chemp delta-9 thc edibles,\u201d \u201chemp delta-9 thc tinctures,\u201d \u201chemp delta-9 thc vapes,\u201d \u201chemp delta-9 thc products,\u201d \u201cfull spectrum CBD + THC product,\u201d and \u201ccompliant delta-9 thc product\u201d were performed, and the first 20 pages of results (200 search results total) were reviewed. The relevant commercial results were selected, excluding third-party lists of products and educational content. In the event this process led to a specific product, we navigated to the overall category page for hemp-derived \u03949-THC products. We also searched Reddit, Instagram, and YouTube to identify brands that were missed by the Google search. Companies listed on CBD Oracle\u2019s internal database of hemp companies were also manually searched for hemp-derived \u03949-THC products. In total, we identified 89 brands currently selling hemp-derived \u03949-THC products.\nWe estimated that this represents around 75% of the total hemp-derived \u03949-THC market, as of April 2022. It is unlikely that the search strategy identified all brands, particularly local brands or those with no online presence. It was estimated, as a result of this and our overall familiarity with the market, that the strategy captured around 75% of the market. This estimate is imperfect by definition, because it cannot be precisely known how many brands exist beyond the boundaries of our online search. With this in mind, we estimate that there were 120 brands selling hemp-derived \u03949-THC products as of April 2022.\nTo select specific products for the lab analysis, companies with a TrustPilot rating lower than \"4\" or with a Better Business Bureau (BBB) grade below \"B\" were excluded, as were any companies which didn\u2019t ship to California and any products that didn\u2019t mention a specific dosage of THC. Companies were also ranked for popularity using the number of customer reviews on-site and followings on social media websites. We selected the \u03949-THC product from each company with the highest number of customer reviews. In some cases, we bought multiple products from the same manufacturer to cover more types of product.\nWe ordered a total of 53 products with a credit card and had them shipped to the CBD Oracle office in Tustin, CA. However, owing to the nature of the market, the majority of them were edibles. The products included gummies (38 products), tinctures (3), vape pens (1), cookies (2), brownies (1), chocolate (1), candies (3), beverages (3), and rice krispies (1). The vast majority sold some form of edibles (total 46), but we identified a few companies offering tinctures, some offering beverages, and one that offers a vape pen. The 53 products came from 48 different brands, which we estimate represented 40% of the total hemp-derived \u03949-THC product market, as of April 2022. Manufacturers came from multiple states: AZ, CA, CO, FL, GA, IN, MA, MI, MN, MO, NC, NJ, NV, NY, OR, TN, TX, and WI.\n\nLab analysis \nProducts were collected for lab analysis directly from the office in their original, sealed packaging and were tested within two weeks of purchase to avoid degradation. The lab analyses were performed by InfiniteCAL, a California Department of Cannabis Control (DCC)- and International Organization for Standardization\/International Electrotechnical Commission (ISO\/IEC 17025)-accredited lab. All products were tested for potency, and 10 randomly selected products were tested for impurities, including pesticides, mycotoxins, residual solvents, microbial contamination, heavy metals, and foreign materials.\nPotency analyses for the mass\/mass percentage concentrations of cannabinoids (\u03949-THC, \u03948-THC, CBD, tetrahydrocannabinolic acid [THCA], cannabidiolic acid [CBDA], cannabigerol [CBG], cannabigerolic acid [CBGA], cannabinol [CBN], tetrahydrocannabivarin [THCV], cannabidivarin [CBDV], and cannabichromene [CBC]) were performed using ultra-high-performance liquid chromatography coupled with a diode array detector (UHPLC-DAD), and concentrations are determined in relation to a calibration curve established based on certified reference materials.\n\u03949-THC was extracted from the gummies\/edibles using one of two parallel validated procedures. The standard procedure is as follows: Solid edible samples are cryoground to a fine powder to ensure homogeneity. A subsample (3.0 g) is weighed in a 50-mL centrifuge tube containing steel balls. Forty milliliters of methanol is added to the tube and subsequently weighed to determine the exact volume of solution. Solutions are then sonicated in a 55 \u00b0C water bath then vortexed. Solid edibles should be reduced to a silt consistency, and therefore, it may be necessary to repeat and alternate sonication and vortexing steps. After the desired consistency is reached, samples are centrifuged for three minutes at 4200 rpm. A subsequent dilution step is performed with methanol in a separate 15-mL tube. Solutions are then filtered with a 0.22-um filter into a 2-mL autosampler vial.\nFor samples suspected or confirmed to contain gelatin (which includes samples that do not reach the desired consistency using the standard procedure), an alternate similar procedure mirrors the standard preparation with the following changes: a mixture of 50:50 water\/methanol is used in place of methanol for the extraction step, and the dilution step uses acetonitrile instead of methanol and is also centrifuged for three minutes at 4200 rpm.\nThe measured potency depends on how well the THC was extracted from the products. However, InfiniteCAL has performed extensive validation on edible products, with both internal sample recovery experiments (using edibles spiked with known amounts of cannabinoids) as well as external blind proficiency tests, which have shown the extraction and analysis techniques used to be both thorough and robust. Validation data can be provided upon request.\nPesticide and mycotoxin levels were determined using a combination of gas chromatography triple quad mass spectrometry (GC MS\/MS) and liquid chromatography triple quad mass spectrometry (LC-MS\/MS). Concentrations of arsenic (As), cadmium (Cd), mercury (Hg), and lead (Pb) were determined using inductively coupled plasma mass spectrometry (ICP-MS). Analyses for heavy metals were conducted in kinetic energy discrimination (KED) mode, using helium (He) as the collision gas and argon (Ar) as the carrier gas.\nResidual solvent and terpene analyses were performed using headspace gas chromatography single quad mass spectrometry (HS-GC-MS). Microbial analysis was performed using real-time polymerase chain reaction (qPCR), with aliquots taken from the batch being incubated for 24 hours to allow microbial growth before testing. Moisture content was determined using a moisture analyzer, with loss of moisture from a pre-defined sample calculated gravimetrically. Finally, foreign material testing was performed visually, either unaided or with a microscope magnifier.\nFull details of the methodology are available from InfiniteCAL.[17]\n\n \u03949-THC conversion markers \nSamples were analyzed to determine whether the \u03949-THC present was naturally occurring in the hemp plant or whether it was produced through conversion from CBD. While it is not possible to determine the source of the \u03949-THC with absolute certainty, there are several indicators that strongly suggest one of three sources: the \u03949-THC naturally produced by a hemp plant, \u03949-THC sourced from a cannabis plant, and \u03949-THC resulting from a conversion from CBD. Additional File 1 contains more detail about the markers used and the underlying chemistry. Note that these analyses were only performed with 49\/53 products, due to very low quantities of minor cannabinoids in three samples, which made identification of the source challenging, and the remaining sample contained no THC.\n\n Trans:cis-\u03949-THC ratio \nSchafroth et al.[18] found that while cis-\u03949-THC was entirely absent from a high-THC Bedrocan cultivar, 28\/31 (90.3%) of hemp plants had trans:cis ratios between 1.3:1 and 8:1. These observations suggest that the biosynthetic pathways to produce \u03949-THC in classical hemp strains are not stereospecific and produce both trans-\u03949- and cis-\u03949-THC, while high-THC cannabis strains have a strongly stereospecific pathway to produce the (-)-trans-\u03949-THC. The delineation of the two strain types based on the presence\/absence of cis-\u03949-THC can therefore provide potential markers to identify the source of \u03949-THC.\nSince it is possible to synthetically form (-)-trans-\u03949-THC directly from (-)-trans-CBD through an isomerization-free mechanism (Fig. 1), the ratios of trans:cis-\u03949-THC in distillate converted from CBD can be expected to far exceed the ratios seen in natural hemp extracts. In contrast, oxidative cyclization from CBGA is the main source for biosynthesized THCA[19], and while natural conversion from CBD could theoretically produce cis-\u03949-THC, this process would also lead to substantial amounts of \u03948- and \u039410-THC in Cannabis plants[20], which is not observed. Therefore, in this analysis, trans:cis ratios > 8:1 are taken as evidence that the source of the THC is not hemp. If there is no cis-\u03949-THC in the sample, it is likely the THC is sourced from cannabis.\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 1. General scheme of conversion of (-)-trans-CBD to (-)-trans-\u03949-THC.\n\n\n\n The quantity of \u03948-THC and \u03948-iso-THC \n\u03948-THC occurs naturally in Cannabis sativa L., but only in negligible amounts.[8] \u03948-THC is formed during conversion from CBD to \u03949-THC[10], as is \u03948-iso-THC (along with its isomerized partner \u03944(8)-iso-THC). This \u201cmiscyclization\u201d only presents itself in conversion reactions. This means that products created using naturally sourced \u03949-THC should have little to no \u03948-THC, with >1% \u03948-iso-THC+\u03948-THC (relative to the \u03949-THC amount) being taken as evidence of conversion from CBD via cyclization.[10]\nDelineation of the \u03948-iso-THC and \u03948-THC amounts was not performed for this study, as the samples were run under standard UHPLC-DAD conditions for quantitation. The reported amounts of \u03948-THC, therefore, represent the combined contributions of both compounds.\n\nThe quantity of cannabigerol \nThe presence and quantity of CBG and other minor cannabinoids were also used as indicators of the source of the \u03949-THC. Just as the \u03948-THC in commercial products is produced via cyclization from CBD[8] because levels in \u201chemp\u201d (i.e., Cannabis sativa L. plants with less than 0.3% \u03949-THC) are not naturally high enough to have a psychoactive effect, the low \u03949-THC levels in many hemp plants[18][21][22] may encourage manufacturers to use the same approach. Since CBD is the starting point for the cyclization reactions, the most efficient starting material is high-purity CBD \u201cisolate,\u201d which is not likely to have significant amounts of CBG present.\nHowever, while natural hemp[18][21] and cannabis[23] contain minor cannabinoids such as CBG, this is not a product of the cyclization reaction.[8] If CBG is not present in the starting material nor a product of the conversion, it would not be expected to be present in converted \u03949-THC. Therefore, products with low quantities of CBG (<1% of total \u03949-THC content) are more likely to use converted \u03949-THC and those with higher quantities are more likely to use naturally sourced \u03949-THC.\nExact translation of fixed metrics for the \u03949-THC products in the study was not possible due to the wide range of \u03949-THC quantity in each product, but using the relative amounts of the three components along with some judgment calls allowed for grouping of each product into the three categories with reasonable confidence.\n\nAge verification checks \nSince all products were purchased from the companies\u2019 websites, their use of age verification measures was considered. For each product, we noted if they required an ID to be presented on purchase or if an easily-circumvented method (e.g., simply entering a birth date)[24] was used. Additionally, we also noted how many products required an adult signature on delivery.\n\nPackaging and labeling \nThe 53 products considered were inspected for warning labels, batch IDs, child-resistant containers, and the cannabis universal symbol (intended to alert consumers that the product contains large amounts of THC).\nWe define a warning label as a clear statement on the packaging that the product is intoxicating, is dangerous to minors and pets, or has specific situations in which you should not use the product, such as:\n\nFor adults 18+, or 21+ where state law applies\nWill intoxicate, use extreme caution\nKeep away from children or pets\nDon\u2019t drive after using\nDon\u2019t operate heavy machinery\nDon\u2019t consume if pregnant or breastfeeding\nDon\u2019t consume if you are subject to drug testing\nConsult with your physician before use\nBatch IDs are unique codes which identify a specific production batch of a product, thus enabling identification of other affected products in the event of contamination. These can have numerous formats, with an example from a purchased product being \u201cE21362-10HC.\u201d\nChild-resistant containers are defined in law[25] as those which 85% of children aged three to five cannot open within five minutes without a demonstration and which 80% still cannot open even after a demonstration. For example, a child-resistant cap may require the user to push down and twist the cap to open, rather than simply twisting. We did not test the packaging first-hand or verify that it met the legal definition, but took the presence of child-proofing mechanisms (such as a child-resistant cap) as evidence of a child-resistant container.\nThe cannabis universal symbol (Fig. 2) or some variation thereof is used to signify to consumers that the product contains cannabis and may be intoxicating. This is not required under the 2018 Farm Bill[5], but it is required for high-THC products sold in adult-use markets such as California.[26]\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 2. The cannabis universal symbol as used in California.\n\n\n\nLab reports provided by companies \nIn most cases, hemp consumers must depend on a certificate of analysis (COA) provided by the company itself to determine the true potency and safety of the product in question. These were also analyzed, in particular, whether they were tested for impurities or just potency, whether the lab used was ISO-accredited, and whether they were DEA-certified.\n\nResults \n Advertised and measured \u03949-THC potencies vs. adult-use states\u2019 standard dosage \nThe considered products advertised between 0.5 and 40 mg of \u03949-THC per serving, with an average of 12.98 mg per serving across all products. Even the average figure is higher than the limit of 10 mg \u03949-THC placed on edibles in legal states such as Colorado and California, and the highest exceeds it by a factor of four. The mode of the dataset was 10 mg, but many products go beyond this limit. Based on lab-measured potencies, the mean was 10.08 mg, which is still slightly above the limit for most legal states. The highest lab-measured potency was 36.68 mg\/serving, almost 3.7-fold higher than most adult-use limits.\n\nPotencies of other cannabinoids \nThe products sampled also contained small amounts of other cannabinoids. On average, the products contained 0.88% CBD, 0.026% CBC, 0.024% CBG, 0.004% CBN, and 0.03% \u03948-THC.\n\n Legality of commercial hemp \u03949-THC products \nIndustrial hemp products are considered legal if they contain less than 0.3% \u03949-THC by dry weight. Of the 53 products analyzed, 96.2% (51 products) fell within the legal limit for \u03949-THC. The 2 products that exceeded the limit were the Blueberry Citrus Burst gummies from Delta Extrax (0.419% \u03949-THC) and the Straw Blasted gummies from Hixotic (0.31% \u03949-THC). The average for all products was 0.154% \u03949-THC, showing clearly that in many cases, the products are not even close to the legal limit. Overall, the vast majority of the hemp-derived \u03949-THC products likely fall within limits specified by the Farm Bill.\n\n Comparison of advertised and measured \u03949-THC potency \nThe measured amounts of \u03949-THC were compared with the amounts listed on the website and\/or product packaging. Considering anything within 10% of the stated potency to be \u201caccurately labeled,\u201d the results show that 66.0% (35\/53) of products were not accurately labeled. For all of the products, the average measured potency was 82.4% of the advertised amount (i.e., the mean of [measured potency\/advertised potency] \u00d7 100 % = 82.4%). For the inaccurately labeled products, the average was 73.3% of the advertised amount. Overall, 88.6% of the mislabeled products contained less \u03949-THC than advertised (Fig. 3).\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 3. Measured vs. advertised dose in hemp-derived \u03949-THC products.\n\n\n\n Impurities in \u03949-THC products \nNo pesticide residue, solvent residue, heavy metal contamination, microbial contamination, mycotoxins, or foreign matter were detected in any of the 10 products that were tested.\n\n Trans:cis-\u03949-THC ratios \nThe ratio of trans to cis \u03949-THC was used to determine whether the product likely used THC either sourced from cannabis or converted via cyclization, with hemp plants generally having a ratio of 8:1 or lower.[18] The analysis showed that 77.6% (38\/49) of products had ratios above the range expected for hemp plants.\n\n \u03948-THC + \u03948-iso-THC content of products \nWith only negligible quantities of \u03948-THC in natural hemp or cannabis plants, products with \u03948-THC + \u03948-iso-THC at levels >1% of the total \u03949-THC content likely involved some THC production from cyclization. A total 63.3% (31\/49) of products contained more than 1% \u03948-THC + \u03948-iso-THC.\n\nCBG content of products \nMinor cannabinoids such as CBG are commonly found in products sourced from hemp or cannabis, but are almost entirely absent from products produced via cyclization. In the analysis, 38.8% (19\/49) of products contained less than 1% CBG (relative to total \u03949-THC content) and thus were less likely to be made using natural cannabis or hemp extract.\n\n Naturally occurring vs. converted \u03949-THC \nBased on the lab analysis and specifically the factors discussed above, InfiniteCAL estimated that 49.0% (24\/49) of products used \u03949-THC that had been converted from CBD through cyclization. The results also suggested that 26.5% (13\/49) used \u03949-THC sourced from cannabis to meet their stated dosage and that only 18.4% (9\/49) probably used natural hemp-derived \u03949-THC. The remaining four products studied could not be classified.\n\n Analyzing the COAs provided by hemp-derived \u03949-THC companies \n84.9% (45\/53) of the hemp-derived \u03949-THC products investigated had an associated COA available to customers. Of these products with COAs, 71.1% (32\/45) were not tested for impurities, with tests conducted only to verify potency. In total, then, 75.5% (40\/53) of products were not proven to be free from impurities (although testing a random sample of 10 revealed no issues, as discussed above).\n80% (36\/45) of COAs were obtained from ISO\/IEC 17025:2017-certified labs, and accreditation certificates were verified through Perry Johnson Laboratory Accreditation (PJLA), American Association for Laboratory Accreditation (A2LA), and International Laboratory Accreditation Cooperation (ILAC) databases. In addition, 51.1% (23\/45) of COAs were from labs that were DEA-certified.\n\n Labeling of hemp-derived \u03949-THC products \nCustomers depend on labels for important information and warnings about the contents of a product. It was found that 83.0% (44\/53) of products had some form of warning label.\nHowever, 73.6% (39\/53) of products did not include the cannabis universal symbol (or some variation thereof) on their packaging. In adult-use states, this is required to inform customers that the product contains large amounts of THC.[26] Additionally, 50.9% (27\/53) of products did not include a batch ID on the label, which means it will be difficult or even impossible to trace any issues back to a specific batch and inform consumers and retailers of the issue.\n\n Age verification and child-resistant packaging for hemp-derived \u03949-THC products \nThe products we sampled largely did not include child-resistant packaging, with 81.1% (43\/53) not using a child-resistant container. This would be illegal in adult-use markets such as California[26], for instance.\nFor age verification, 84.9% (45\/53) of companies did not perform online age verification at checkout. The companies which did all used AgeChecker, which verifies age by cell phone verification and requiring customers to upload a \u201cselfie\u201d with their ID, as well as provide a clear picture of it. Additionally, 98.1% of companies (52\/53) did not require an adult signature on delivery. All but one product was simply left in the mailbox without obtaining any form of signature.\n\nDiscussion \nThe lab analysis revealed that the industry offers what it claims in some ways, but potentially misleads or does not inform customers in others. On the one hand, it is clear that the vast majority of products (96.2%) fall within the legal \u03949-THC limits established by the 2018 federal Farm Bill.[5] Additionally, the tests conducted suggest that impurities are not a substantial issue for companies producing hemp-derived \u03949-THC products.\nHowever, the investigation also revealed several points which may be concerning from a consumer perspective. Firstly, in many cases, the advertised dosages are substantially higher than would be allowed in any regulated, legal, high-THC cannabis market in the country. Secondly, most of the products (73.6%) do not include the cannabis universal symbol to warn potential consumers of their high \u03949-THC content. Despite the fact that most (84.9%) products are backed with a COA, since most of these do not include impurity testing, 75.5% of hemp-derived \u03949-THC products are not safety tested. This problem is compounded by the lack of batch labeling for 50.9% of products. Finally, and potentially the largest issue for consumers is the fact that 66.0% of products differ from the \u03949-THC dosage stated on their labels by 10% or more, usually providing less than advertised.\nConsidering the potential risks of excessive amounts of THC[27], the combination of factors here could be a cause for concern. Customers in adult-use states expect the cannabis universal symbol or some variation thereof on high-THC products, with over 80% of states with medical cannabis requiring this, for instance.[28] In many cases, even the advertised dosages exceed those considered acceptable in adult-use states. Additionally, two out of three products differ from the stated dose by over 10%, which makes it difficult\u2014if not impossible\u2014for customers to know how much THC they will actually consume. The problem from a consumer perspective is one of consent: people may buy under the assumption that the product is \u201cjust hemp\u201d or at least \"not high-THC,\" and others may get more THC than they wanted or were informed of through labeling. These issues could be solved by the industry, but legislators might also take steps such as setting a total THC cap on hemp products or requiring accurate labeling.\nDespite some concern about youth access to intoxicating hemp products[29][30], the analysis revealed many problems with how companies attempt to prevent under-age purchases and access. In particular, only eight of 53 products (15.1%) required any form of age verification prior to the order being placed. This means that in the remainder of cases, all people had to do prior to making a purchase is either input a date of birth or click a button confirming that he\/she is over 21. These systems can be easily circumvented or simply lied to[24] and so do not constitute age verification. The remaining purchases had age verification through AgeChecker, which uses public records and images of ID to determine the customer\u2019s true age. Additionally, only one product (1.9%) required an adult signature on delivery, and the remainder simply allowed the delivery to be left in the mailbox.\nWhile getting a valid card to pay may be a challenge, this is essentially the only thing preventing youths from accessing high-THC hemp products such as those in this study. From this point onwards, a youth could easily place an order (simply using an alternative website if they initially chose one of the 15% which performs age checks) and receive the delivery without having to present ID at any stage. In the absence of further laws\u2014requiring a signature on delivery for intoxicating hemp products, for instance\u2014this situation is difficult to rectify.\nFinally, the lab analysis showed that 96.2% of hemp-derived \u03949-THC products do fall within the limits established by the Farm Bill. This is a positive sign for the industry, noting that current legal opinion suggests that hemp-derived \u03949-THC is legal in the absence of further state legislation.\nHowever, the finding that 49% of products used \u03949-THC converted from CBD may challenge this in some localities. Colorado[11], for example, restricts \u03948-THC on the basis that \u201cchemically modifying or converting any naturally occurring cannabinoids from industrial hemp is non-compliant with the statutory definition of \u2018industrial hemp product',\" and Massachusetts[12] has a similar approach. These laws would also apply to \u03949-THC products advertised as hemp if levels were increased by conversion from CBD. Maryland is also considering[31] regulations on THC products that are synthetically or artificially derived.\n\nLimitations and implications of the research \nThere are some limitations of the analysis. Firstly, owing to the nature of the market, the majority of products (86.8%) tested were gummies, candies, or other edibles, with relatively few drinks, tinctures, and vaping products. While this represents the market closely, it may be that other product types differ in some important ways (for example, being more likely to exceed the legal limit for \u03949-THC ). Unfortunately, the sample did not include enough non-edible samples to investigate differences by product type. Only one sample of each product was analyzed, but values could (and likely do) vary by the individual sample and not just by product. There was also some time (less than two weeks in all cases) between purchase and testing, which could feasibly have impacted the results through degradation, despite all products being sealed until testing.\nThe results show the consequences of the legal loophole which hemp-derived \u03949-THC companies are currently operating in. With no centralized regulatory body, and very little in the way of state-specific regulations in most cases, intoxicating hemp products are currently allowed to operate with minimal oversight. This is why, for instance, that not all products are accompanied by a COA, why dosages (both advertised and actual) vary so wildly, and why in most cases age verification is essentially absent.\nThere are three avenues that could help companies and regulators find a potential solution to these issues. Firstly, states with adult-use or medical marijuana programs could incorporate intoxicating hemp products into their existing legal framework for legal cannabis. This would include, for instance, maximum doses of \u03949-THC (or indeed other THCs) per serving and per package, as well as lab testing requirements. Secondly, states could improve their hemp legislation to account for intoxicating products, enabling them to implement similar restrictions on THC-rich products and require age verification. Finally, the industry itself could adopt reasonable standards in the absence of official guidance. In the manner most companies now offer COAs for their products, they may (through hemp industry organizations) institute mandatory age checks and standardized testing requirements.\n\nConclusion \nThe legal status of hemp-derived \u03949-THC products in America essentially permits their open sale while placing very few requirements on the companies selling them. The results of this lab and market analysis show the consequences of this policy: products are sold that have 3.7 times the THC content of edibles in adult-use states, and age verification, safety testing, and accurate dosages are neither required nor often present. On top of this, 49% of products use THC converted from CBD, which explicitly contradicts the law in some states but raises issues with the Farm Bill\u2019s definition of \u201chemp\u201d in any case. The industry meets some common-sense requirements\u2014such as almost all products being within legal limits and none having issues with impurities\u2014but there is also a lot of work to do in several key areas.\n\n Abbreviations, acronyms, and initialisms \nCBD: cannabidiol\nCBDA: cannabidiolic acid\nCBDV: cannabidivarin\nCBG: cannabigerol\nCBGA: cannabigerolic acid\nCBN: cannabinol\nCOA: certificate of Analysis\nDCC: Department of Cannabis Control\nDEA: Drug Enforcement Administration\nGC MS\/MS: gas chromatography triple quad mass spectrometry\nHPLC: high-performance liquid chromatography\nHS-GC-MS: headspace gas chromatography single quad mass spectrometry\nICP-MS: inductively coupled plasma mass spectrometry\nISO\/IEC: International Organization for Standardization \/ International Electrotechnical Commission\nKED: kinetic energy discrimination\nLC-MS\/MS: liquid chromatography triple quad mass spectrometry\nqPCR: real-time polymerase chain reaction\nTHC:: tetrahydrocannabinol\nTHCA: tetrahydrocannabinolic acid\nTHCV: tetrahydrocannabivarin\nUHPLC-DAD: ultra-high-performance liquid chromatography coupled with a diode array detector\nUV: ultraviolet\nSupplementary information \nAdditional File 1: Kramer, M.; Lomas, S., 2017 (.docx)\nAcknowledgements \nThe authors would like to acknowledge Houman Shahi, for his support, guidance, and organizational assistance throughout the process.\n\nAuthor contributions \nLJ and MM planned the research and wrote the majority of the manuscript. DB planned and organized the data collection. EP, JS, DM, and SA performed the lab work and wrote the \u201c\u22069 THC Conversion Markers\u201d supplementary information, with support from DB. All authors approved the finished version of the manuscript.\n\nFunding \nThe research was funded by CBD Oracle.\n\nAvailability of data and materials \nThe original lab reports for each product are available in a Google Drive.\n\nCompeting interests \nLJ and MM are employed by CBD Oracle, a CBD and cannabis consumer website. While they have no financial incentive for any particular result, they are advocates of cannabis and hemp. The remaining authors declare that they have no competing interests.\n\nReferences \n\n\n\u2191 Cooper, Ziva D.; Haney, Margaret (1 January 2009). \"Actions of delta-9-tetrahydrocannabinol in cannabis: Relation to use, abuse, dependence\" (in en). International Review of Psychiatry 21 (2): 104\u2013112. doi:10.1080\/09540260902782752. ISSN 0954-0261. PMC PMC2731700. 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PMID 32789154. https:\/\/www.ingentaconnect.com\/content\/10.18001\/TRS.6.2.6 .   \n \n\n\u2191 Bakshi, Arjun; Patel, Preeti (2023), \"Poison Prevention Packaging Act\", StatPearls (Treasure Island (FL): StatPearls Publishing), PMID 34283507, http:\/\/www.ncbi.nlm.nih.gov\/books\/NBK572141\/   \n \n\n\u2191 26.0 26.1 26.2 California Department of Cannabis Control (2023). \"Requirements for cannabis goods\". State of California. https:\/\/cannabis.ca.gov\/licensees\/requirements-cannabis-goods\/ .   \n \n\n\u2191 D\u2019Souza, Deepak Cyril; Sewell, Richard Andrew; Ranganathan, Mohini (1 October 2009). \"Cannabis and psychosis\/schizophrenia: human studies\" (in en). European Archives of Psychiatry and Clinical Neuroscience 259 (7): 413\u2013431. doi:10.1007\/s00406-009-0024-2. ISSN 0940-1334. PMC PMC2864503. PMID 19609589. http:\/\/link.springer.com\/10.1007\/s00406-009-0024-2 .   \n \n\n\u2191 Kruger, Daniel J.; Korach, Natalie J.; Kruger, Jessica S. (1 April 2022). \"Requirements for Cannabis Product Labeling by U.S. State\" (in en). Cannabis and Cannabinoid Research 7 (2): 156\u2013160. doi:10.1089\/can.2020.0079. ISSN 2578-5125. PMC PMC9070747. PMID 33998880. https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2020.0079 .   \n \n\n\u2191 Akingbasote, James; Szlapinski, Sandra; Charrette, Andrew; Hilmas, Corey J.; Guthrie, Najla (2022), \"Safety of cannabis- and hemp-derived constituents in reproduction and development\" (in en), Reproductive and Developmental Toxicology (Elsevier): 455\u2013487, doi:10.1016\/b978-0-323-89773-0.00024-2, ISBN 978-0-323-89773-0, https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780323897730000242   \n \n\n\u2191 U.S. Food and Drug Administration (16 June 2022). \"FDA Warns Consumers About the Accidental Ingestion by Children of Food Products Containing THC\". U.S. Food and Drug Administration. https:\/\/www.fda.gov\/food\/alerts-advisories-safety-information\/fda-warns-consumers-about-accidental-ingestion-children-food-products-containing-thc .   \n \n\n\u2191 Feldman, B.J. (8 July 2022). \"Cannabis - Regulation - Delta-8- and Delta-10-Tetrahydrocannabinol\". Maryland General Assembly. https:\/\/mgaleg.maryland.gov\/mgawebsite\/Legislation\/Details\/SB0788?ys=2022rs .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation. Some grammar and punctuation was cleaned up to improve readability. In some cases important information was missing from the references, and that information was added. Several URLs listed in the original were broken; presumed-correct URLs were discovered and used for this version.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\">https:\/\/www.limswiki.org\/index.php\/Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem<\/a>\nCategories: Pages containing cite templates with deprecated parametersLIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on cannabis researchLIMSwiki journal articles on cannabis testingNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 26 December 2023, at 23:43.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 124 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","0e82f04e7dc7215ba850cc74a3ed9e5c_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_Potency_and_safety_analysis_of_hemp-derived_delta-9_products_The_hemp_vs_cannabis_demarcation_problem rootpage-Journal_Potency_and_safety_analysis_of_hemp-derived_delta-9_products_The_hemp_vs_cannabis_demarcation_problem skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:Potency and safety analysis of hemp-derived delta-9 products: The hemp vs. cannabis demarcation problem<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p><b>Background<\/b>: <a href=\"https:\/\/www.limswiki.org\/index.php\/Hemp\" title=\"Hemp\" class=\"wiki-link\" data-key=\"27f1a712fd99617c16d5efbbf8e77682\">Hemp<\/a>-derived <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabinol\" title=\"Tetrahydrocannabinol\" class=\"wiki-link\" data-key=\"53262e4c2e8af8a1d659f20e17de700d\">delta-9-tetrahydrocannabinol<\/a> (\u0394<sup>9<\/sup>-THC) products are freely available for sale across much of the USA, but the federal legislation allowing their sale places only minimal requirements on companies. Products must contain no more than 0.3% \u0394<sup>9<\/sup>-THC by dry weight, but no limit is placed on overall dosage, and there is no requirement that products derived from hemp-based \u0394<sup>9<\/sup>-THC be tested. However, some states\u2014such as Colorado\u2014specifically prohibit products created by \u201cchemically modifying\u201d a natural hemp component.\n<\/p><p><b>Methods<\/b>: Fifty-three hemp-derived \u0394<sup>9<\/sup>-THC products were ordered and submitted to InfiniteCAL <a href=\"https:\/\/www.limswiki.org\/index.php\/Laboratory\" title=\"Laboratory\" class=\"wiki-link\" data-key=\"c57fc5aac9e4abf31dccae81df664c33\">laboratory<\/a> for analysis. The lab analysis considered <a href=\"https:\/\/www.limswiki.org\/index.php\/Potency\" class=\"mw-redirect wiki-link\" title=\"Potency\" data-key=\"1460713f572de520cf506b957690e19c\">potency<\/a>, the presence of <a href=\"https:\/\/www.limswiki.org\/index.php\/Contamination\" title=\"Contamination\" class=\"wiki-link\" data-key=\"4086ab7c4bd58e8170a63591d18b5f1b\">impurities<\/a>, and whether the \u0394<sup>9<\/sup>-THC present was natural or converted from <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidiol\" title=\"Cannabidiol\" class=\"wiki-link\" data-key=\"d8d2dc32be186285bb35b8e1e7e8e319\">cannabidiol<\/a> (CBD). The presence of age verification, company-conducted testing, and warning labels was also considered.\n<\/p><p><b>Results<\/b>: While 96.2% of products were under the legal \u0394<sup>9<\/sup>-THC limit, 66.0% differed from their stated dosage by more than 10%, and although 84.9% provided a lab report to customers, 71.1% of these did not check for impurities. Additionally, 49% of products converted CBD to THC to achieve their levels, and only 15.1% performed age verification at checkout.\n<\/p><p><b>Conclusions<\/b>: Despite some positive findings, the results show that hemp-derived \u0394<sup>9<\/sup>-THC companies offer inaccurately labeled products that contain more THC than would be allowed in adult-use states. This raises serious issues around consumer safety, and consent when consuming intoxicating products. Steps to boost accountability for companies must be considered by either the industry or lawmakers if intoxicating hemp products are to safely remain on the market.\n<\/p><p><b>Keywords<\/b>: hemp, \u0394<sup>9<\/sup>-THC, Farm Bill, Agriculture Improvement Act, cannabinoid potency\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Background\">Background<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabinol\" title=\"Tetrahydrocannabinol\" class=\"wiki-link\" data-key=\"53262e4c2e8af8a1d659f20e17de700d\">Delta-9-tetrahydrocannabinol<\/a> (\u0394<sup>9<\/sup>-THC) is the primary <a href=\"https:\/\/www.limswiki.org\/index.php\/Psychoactive_drug\" title=\"Psychoactive drug\" class=\"wiki-link\" data-key=\"6a7992dee27770a89a5fae8f10ad8ea8\">psychoactive component<\/a> of the <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_sativa\" title=\"Cannabis sativa\" class=\"wiki-link\" data-key=\"d5a53204ff5f2a5f8964b8f9eab4581a\"><i>Cannabis sativa<\/i> L.<\/a> plant<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup>, with other <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabinoid\" title=\"Cannabinoid\" class=\"wiki-link\" data-key=\"e9b004c140c97730fc3272a031127b82\">cannabinoids<\/a> like <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidiol\" title=\"Cannabidiol\" class=\"wiki-link\" data-key=\"d8d2dc32be186285bb35b8e1e7e8e319\">cannabidiol<\/a> (CBD) attracting attention for their therapeutic properties<sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup> in recent years.<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup> While both cannabinoids have medical applications, \u0394<sup>9<\/sup>-THC has largely been associated with recreational use. Until 2012<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup>, the prohibition of the recreational use of cannabis in the United States has made it essentially impossible to obtain legally, except through certain medical channels.\n<\/p><p>However, things changed when the <a href=\"https:\/\/www.limswiki.org\/index.php\/Agriculture_Improvement_Act_of_2018\" title=\"Agriculture Improvement Act of 2018\" class=\"wiki-link\" data-key=\"2b4d95fadf7a08b5d1f5e2cfe6d74303\">Agriculture Improvement Act of 2018<\/a> (a.k.a. the \u201cFarm Bill\u201d) made industrial <a href=\"https:\/\/www.limswiki.org\/index.php\/Hemp\" title=\"Hemp\" class=\"wiki-link\" data-key=\"27f1a712fd99617c16d5efbbf8e77682\">hemp<\/a> legal at the federal level.<sup id=\"rdp-ebb-cite_ref-:0_5-0\" class=\"reference\"><a href=\"#cite_note-:0-5\">[5]<\/a><\/sup> The legislation allowed for an explosion of CBD products, but there were unintended consequences. The Farm Bill removed the cannabinoids in hemp from the definition of \"marijuana\" in the <a href=\"https:\/\/www.limswiki.org\/index.php\/Controlled_Substances_Act\" title=\"Controlled Substances Act\" class=\"wiki-link\" data-key=\"1de7ac0f2bfe360ede9dfce61e741805\">Controlled Substances Act<\/a> and defined hemp as containing less than 0.3% \u0394<sup>9<\/sup>-THC by dry weight.<sup id=\"rdp-ebb-cite_ref-:1_6-0\" class=\"reference\"><a href=\"#cite_note-:1-6\">[6]<\/a><\/sup> This allowed non-intoxicating <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_concentrate\" title=\"Cannabis concentrate\" class=\"wiki-link\" data-key=\"d25b2da8b2191e3a0aaad235fc50ef93\">CBD oils<\/a>, for example, to be sold freely. However, loopholes quickly emerged, such as ignoring the matter of \u0394<sup>8<\/sup>-THC, another psychoactive compound much like \u0394<sup>9<\/sup>-THC except with less potent and long-lasting effects<sup id=\"rdp-ebb-cite_ref-7\" class=\"reference\"><a href=\"#cite_note-7\">[7]<\/a><\/sup> and less binding affinity for the CB1 receptor.<sup id=\"rdp-ebb-cite_ref-:2_8-0\" class=\"reference\"><a href=\"#cite_note-:2-8\">[8]<\/a><\/sup> Since it is a natural component of hemp, provided that products containing it have less than 0.3% \u0394<sup>9<\/sup>-THC by dry weight, they can contain as much \u0394<sup>8<\/sup>-THC as they want. Some states have taken action to stop the sale and distribution of \u0394<sup>8<\/sup>-THC<sup id=\"rdp-ebb-cite_ref-:1_6-1\" class=\"reference\"><a href=\"#cite_note-:1-6\">[6]<\/a><\/sup>, but new loopholes (for example, the increase in products with <a href=\"https:\/\/www.limswiki.org\/index.php\/Hexahydrocannabinol\" title=\"Hexahydrocannabinol\" class=\"wiki-link\" data-key=\"b1c074e1ab8d411d205bd8207bc25574\">hexahydrocannabinol<\/a> [HHC]<sup id=\"rdp-ebb-cite_ref-9\" class=\"reference\"><a href=\"#cite_note-9\">[9]<\/a><\/sup>) are identified more quickly than lawmakers can close them.\n<\/p><p>While \u0394<sup>8<\/sup>-THC is present in negligible amounts in the <i><a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis\" title=\"Cannabis\" class=\"wiki-link\" data-key=\"af797c56ff03f240199d1fdff0690555\">Cannabis<\/a><\/i> plant, virtually all products sold to consumers use \u0394<sup>8<\/sup>-THC produced from CBD<sup id=\"rdp-ebb-cite_ref-:2_8-1\" class=\"reference\"><a href=\"#cite_note-:2-8\">[8]<\/a><\/sup> by cyclization (the closure of a ring after an acid-catalyzed activation of a double bond).<sup id=\"rdp-ebb-cite_ref-:3_10-0\" class=\"reference\"><a href=\"#cite_note-:3-10\">[10]<\/a><\/sup> This creates potential legal issues at the federal level (because it may render it \u201csynthetic\u201d THC), but the conversion process itself has also been a target of state-level legislation.<sup id=\"rdp-ebb-cite_ref-:4_11-0\" class=\"reference\"><a href=\"#cite_note-:4-11\">[11]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:5_12-0\" class=\"reference\"><a href=\"#cite_note-:5-12\">[12]<\/a><\/sup>\n<\/p><p>Hemp-derived \u0394<sup>9<\/sup>-THC products were devised through a very simple application of the Farm Bill\u2019s 0.3% by dry weight limit. A 10 g gummy can contain roughly 10 g \u00d7 0.3% = 0.03 g = 30 mg of \u0394<sup>9<\/sup>-THC and still be within the legal limit. In contrast, intoxicating cannabis edibles in legal states like California and Colorado tend to contain just 5 mg or 10 mg \u0394<sup>9<\/sup>-THC per serving.<sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-14\" class=\"reference\"><a href=\"#cite_note-14\">[14]<\/a><\/sup> As an unavoidable consequence of the law as it is currently written, intoxicating \u201chemp\u201d \u0394<sup>9<\/sup>-THC products are widely available in most states.\n<\/p><p>There are many potential issues with this; however, the biggest is the minimal regulations imposed on these \u201chemp\u201d companies, especially in comparison to the regulations of legal cannabis markets. For instance, in California<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup>, each product must be <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_testing_regulations_in_California\" title=\"Cannabis testing regulations in California\" class=\"wiki-link\" data-key=\"be153832677cda8bf05a1fb1d982d669\">lab tested<\/a> for cannabinoid <a href=\"https:\/\/www.limswiki.org\/index.php\/Potency\" class=\"mw-redirect wiki-link\" title=\"Potency\" data-key=\"1460713f572de520cf506b957690e19c\">potency<\/a>, residual <a href=\"https:\/\/www.limswiki.org\/index.php\/Pesticide\" title=\"Pesticide\" class=\"wiki-link\" data-key=\"e2add77b6f85cd1a1cdb4a0dbeab2de9\">pesticides<\/a>, foreign material, <a href=\"https:\/\/www.limswiki.org\/index.php\/Heavy_metals\" title=\"Heavy metals\" class=\"wiki-link\" data-key=\"4772f54e1b1773bec54c2cb9bf4eae73\">heavy metals<\/a>, microbial impurities, <a href=\"https:\/\/www.limswiki.org\/index.php\/Mycotoxin\" title=\"Mycotoxin\" class=\"wiki-link\" data-key=\"eddb3b08cf1f4fed66e74d7d61b99392\">mycotoxins<\/a>, moisture content, and residual <a href=\"https:\/\/www.limswiki.org\/index.php\/Solvent\" title=\"Solvent\" class=\"wiki-link\" data-key=\"06ffe45f280d70d62ec7bc3dc5804c37\">solvents<\/a>, and packaging must be child-resistant, tamper-evident, and resealable, containing a cannabis universal symbol and numerous other pieces of information, such as a batch number and a full ingredient listing. These and similar regulations protect consumers in states with legal cannabis, but are not a requirement for hemp under the Farm Bill.\n<\/p><p>Since hemp-derived \u0394<sup>9<\/sup>-THC products are intoxicating, many people argue that they should meet similar standards to edibles in states like California and Colorado<sup id=\"rdp-ebb-cite_ref-16\" class=\"reference\"><a href=\"#cite_note-16\">[16]<\/a><\/sup>, and be subject to the same requirements for things like warning labels and child-safe packaging. As with \u0394<sup>8<\/sup>-THC products, it is also possible that some of the \u0394<sup>9<\/sup>-THC in hemp products is created through cyclization, and consequently may be impacted by existing state legislation.\n<\/p><p>This study aims to investigate the hemp-derived \u0394<sup>9<\/sup>-THC market with this in mind. In particular, we aim to determine whether companies remain within legal limits, whether the stated dosages are accurate, whether the \u0394<sup>9<\/sup>-THC was produced by cyclization, and whether companies performed safety testing on products and made sufficient effort to prevent minors from purchasing them.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Methods\">Methods<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Sample_size_and_product_selection\">Sample size and product selection<\/span><\/h3>\n<p>For the lab study and market analysis, we first identified and purchased a selection of the most popular products online from different brands. To identify brands, Google searches for \u201chemp delta-9 thc edibles,\u201d \u201chemp delta-9 thc tinctures,\u201d \u201chemp delta-9 thc vapes,\u201d \u201chemp delta-9 thc products,\u201d \u201cfull spectrum CBD + THC product,\u201d and \u201ccompliant delta-9 thc product\u201d were performed, and the first 20 pages of results (200 search results total) were reviewed. The relevant commercial results were selected, excluding third-party lists of products and educational content. In the event this process led to a specific product, we navigated to the overall category page for hemp-derived \u0394<sup>9<\/sup>-THC products. We also searched Reddit, Instagram, and YouTube to identify brands that were missed by the Google search. Companies listed on CBD Oracle\u2019s internal database of hemp companies were also manually searched for hemp-derived \u0394<sup>9<\/sup>-THC products. In total, we identified 89 brands currently selling hemp-derived \u0394<sup>9<\/sup>-THC products.\n<\/p><p>We estimated that this represents around 75% of the total hemp-derived \u0394<sup>9<\/sup>-THC market, as of April 2022. It is unlikely that the search strategy identified all brands, particularly local brands or those with no online presence. It was estimated, as a result of this and our overall familiarity with the market, that the strategy captured around 75% of the market. This estimate is imperfect by definition, because it cannot be precisely known how many brands exist beyond the boundaries of our online search. With this in mind, we estimate that there were 120 brands selling hemp-derived \u0394<sup>9<\/sup>-THC products as of April 2022.\n<\/p><p>To select specific products for the lab analysis, companies with a TrustPilot rating lower than \"4\" or with a Better Business Bureau (BBB) grade below \"B\" were excluded, as were any companies which didn\u2019t ship to California and any products that didn\u2019t mention a specific dosage of THC. Companies were also ranked for popularity using the number of customer reviews on-site and followings on social media websites. We selected the \u0394<sup>9<\/sup>-THC product from each company with the highest number of customer reviews. In some cases, we bought multiple products from the same manufacturer to cover more types of product.\n<\/p><p>We ordered a total of 53 products with a credit card and had them shipped to the CBD Oracle office in Tustin, CA. However, owing to the nature of the market, the majority of them were <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_edible\" title=\"Cannabis edible\" class=\"wiki-link\" data-key=\"97e8f452aff0cd6a78083b7036285d60\">edibles<\/a>. The products included gummies (38 products), tinctures (3), vape pens (1), cookies (2), brownies (1), chocolate (1), candies (3), beverages (3), and rice krispies (1). The vast majority sold some form of edibles (total 46), but we identified a few companies offering tinctures, some offering beverages, and one that offers a vape pen. The 53 products came from 48 different brands, which we estimate represented 40% of the total hemp-derived \u0394<sup>9<\/sup>-THC product market, as of April 2022. Manufacturers came from multiple states: AZ, CA, CO, FL, GA, IN, MA, MI, MN, MO, NC, NJ, NV, NY, OR, TN, TX, and WI.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Lab_analysis\">Lab analysis<\/span><\/h3>\n<p>Products were collected for lab analysis directly from the office in their original, sealed packaging and were tested within two weeks of purchase to avoid degradation. The lab analyses were performed by InfiniteCAL, a California Department of Cannabis Control (DCC)- and International Organization for Standardization\/International Electrotechnical Commission (<a href=\"https:\/\/www.limswiki.org\/index.php\/ISO\/IEC_17025\" title=\"ISO\/IEC 17025\" class=\"wiki-link\" data-key=\"0a89cebb34370dd860cce86881cbf29c\">ISO\/IEC 17025<\/a>)-accredited lab. All products were tested for potency, and 10 randomly selected products were tested for impurities, including pesticides, mycotoxins, residual solvents, microbial contamination, heavy metals, and foreign materials.\n<\/p><p>Potency analyses for the mass\/mass percentage concentrations of cannabinoids (\u0394<sup>9<\/sup>-THC, \u0394<sup>8<\/sup>-THC, CBD, <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabinolic_acid\" title=\"Tetrahydrocannabinolic acid\" class=\"wiki-link\" data-key=\"6615d85c022653e8e236f3be671849da\">tetrahydrocannabinolic acid<\/a> [THCA], <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidiolic_acid\" title=\"Cannabidiolic acid\" class=\"wiki-link\" data-key=\"e8bf231fbcbb06a5b1fdedab37399f7f\">cannabidiolic acid<\/a> [CBDA], <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabigerol\" title=\"Cannabigerol\" class=\"wiki-link\" data-key=\"a14f316a593e6b443b266b38d91bb289\">cannabigerol<\/a> [CBG], <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabigerolic_acid\" title=\"Cannabigerolic acid\" class=\"wiki-link\" data-key=\"4df85885951587767051bff3077875b9\">cannabigerolic acid<\/a> [CBGA], <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabinol\" title=\"Cannabinol\" class=\"wiki-link\" data-key=\"31f1857bfedfb177f3458b0a12df8194\">cannabinol<\/a> [CBN], <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabivarin\" title=\"Tetrahydrocannabivarin\" class=\"wiki-link\" data-key=\"ac09489b5da472f2edcac844b873f128\">tetrahydrocannabivarin<\/a> [THCV], <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidivarin\" title=\"Cannabidivarin\" class=\"wiki-link\" data-key=\"693d8ed56a4a79b34b0c76d2d54e3d89\">cannabidivarin<\/a> [CBDV], and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabichromene\" title=\"Cannabichromene\" class=\"wiki-link\" data-key=\"cda1eecdd346463b3a292e90325e6d65\">cannabichromene<\/a> [CBC]) were performed using <a href=\"https:\/\/www.limswiki.org\/index.php\/High-performance_liquid_chromatography#Pump_pressure\" title=\"High-performance liquid chromatography\" class=\"wiki-link\" data-key=\"b21062e39e1d314d1ff52e043a207816\">ultra-high-performance liquid chromatography<\/a> coupled with a <a href=\"https:\/\/www.limswiki.org\/index.php\/Chromatography_detector\" title=\"Chromatography detector\" class=\"wiki-link\" data-key=\"e48f72a2a1c16444e5b5fcc685acb5cd\">diode array detector<\/a> (UHPLC-DAD), and concentrations are determined in relation to a calibration curve established based on certified reference materials.\n<\/p><p>\u0394<sup>9<\/sup>-THC was extracted from the gummies\/edibles using one of two parallel validated procedures. The standard procedure is as follows: Solid edible samples are cryoground to a fine powder to ensure homogeneity. A subsample (3.0 g) is weighed in a 50-mL centrifuge tube containing steel balls. Forty milliliters of <a href=\"https:\/\/www.limswiki.org\/index.php\/Methanol\" title=\"Methanol\" class=\"wiki-link\" data-key=\"2d60dca53b0fff735079b4f5ca3ac765\">methanol<\/a> is added to the tube and subsequently weighed to determine the exact volume of solution. Solutions are then sonicated in a 55 \u00b0C water bath then vortexed. Solid edibles should be reduced to a silt consistency, and therefore, it may be necessary to repeat and alternate sonication and vortexing steps. After the desired consistency is reached, samples are centrifuged for three minutes at 4200 rpm. A subsequent dilution step is performed with methanol in a separate 15-mL tube. Solutions are then filtered with a 0.22-um filter into a 2-mL autosampler vial.\n<\/p><p>For samples suspected or confirmed to contain gelatin (which includes samples that do not reach the desired consistency using the standard procedure), an alternate similar procedure mirrors the standard preparation with the following changes: a mixture of 50:50 water\/methanol is used in place of methanol for the extraction step, and the dilution step uses <a href=\"https:\/\/www.limswiki.org\/index.php\/Acetonitrile\" title=\"Acetonitrile\" class=\"wiki-link\" data-key=\"5a11e3838d82bde14fc27be526be4acd\">acetonitrile<\/a> instead of methanol and is also centrifuged for three minutes at 4200 rpm.\n<\/p><p>The measured potency depends on how well the THC was extracted from the products. However, InfiniteCAL has performed extensive validation on edible products, with both internal sample recovery experiments (using edibles spiked with known amounts of cannabinoids) as well as external blind proficiency tests, which have shown the extraction and analysis techniques used to be both thorough and robust. Validation data can be provided upon request.\n<\/p><p>Pesticide and mycotoxin levels were determined using a combination of <a href=\"https:\/\/www.limswiki.org\/index.php\/Gas_chromatography\" title=\"Gas chromatography\" class=\"wiki-link\" data-key=\"e621fc6f90266fbc8db27d516e9cbb94\">gas chromatography<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Quadrupole\" title=\"Quadrupole\" class=\"wiki-link\" data-key=\"8455517e18fb352dd0ba87d4fbdaf6c6\">triple quad<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Tandem_mass_spectrometry\" title=\"Tandem mass spectrometry\" class=\"wiki-link\" data-key=\"55f167a11d8b5037392ba845986bf6bf\">mass spectrometry<\/a> (GC MS\/MS) and <a href=\"https:\/\/www.limswiki.org\/index.php\/Liquid_chromatography%E2%80%93mass_spectrometry\" title=\"Liquid chromatography\u2013mass spectrometry\" class=\"wiki-link\" data-key=\"d171745b38c8d2ed7d274d2cc13fa1f3\">liquid chromatography<\/a> triple quad mass spectrometry (LC-MS\/MS). Concentrations of <a href=\"https:\/\/www.limswiki.org\/index.php\/Arsenic\" title=\"Arsenic\" class=\"wiki-link\" data-key=\"4412b5f4d62ab1fe1df8cb6382104b87\">arsenic<\/a> (As), <a href=\"https:\/\/www.limswiki.org\/index.php\/Cadmium\" title=\"Cadmium\" class=\"wiki-link\" data-key=\"42f219fd956fed92080852e5bdf14bd3\">cadmium<\/a> (Cd), (Hg), and <a href=\"https:\/\/www.limswiki.org\/index.php\/Lead\" title=\"Lead\" class=\"wiki-link\" data-key=\"ea354a8ebb7e7976e9d2fec3423469b0\">lead<\/a> (Pb) were determined using <a href=\"https:\/\/www.limswiki.org\/index.php\/Inductively_coupled_plasma_mass_spectrometry\" title=\"Inductively coupled plasma mass spectrometry\" class=\"wiki-link\" data-key=\"56b77f19f090a156bf0d78c71c76da21\">inductively coupled plasma mass spectrometry<\/a> (ICP-MS). Analyses for heavy metals were conducted in kinetic energy discrimination (KED) mode, using helium (He) as the collision gas and argon (Ar) as the carrier gas.\n<\/p><p>Residual solvent and <a href=\"https:\/\/www.limswiki.org\/index.php\/Terpene\" title=\"Terpene\" class=\"wiki-link\" data-key=\"66742ae6057cece4459de8ac33712546\">terpene<\/a> analyses were performed using <a href=\"https:\/\/www.limswiki.org\/index.php\/Headspace_technology\" title=\"Headspace technology\" class=\"wiki-link\" data-key=\"d178e86e64b178f932249e5182ac868f\">headspace<\/a> gas chromatography single quad mass spectrometry (HS-GC-MS). Microbial analysis was performed using <a href=\"https:\/\/www.limswiki.org\/index.php\/Real-time_polymerase_chain_reaction\" title=\"Real-time polymerase chain reaction\" class=\"wiki-link\" data-key=\"997eb4d057d5193289e722a4d0c74304\">real-time polymerase chain reaction<\/a> (qPCR), with aliquots taken from the batch being incubated for 24 hours to allow microbial growth before testing. Moisture content was determined using a moisture analyzer, with loss of moisture from a pre-defined sample calculated gravimetrically. Finally, foreign material testing was performed visually, either unaided or with a microscope magnifier.\n<\/p><p>Full details of the methodology are available from InfiniteCAL.<sup id=\"rdp-ebb-cite_ref-17\" class=\"reference\"><a href=\"#cite_note-17\">[17]<\/a><\/sup>\n<\/p>\n<h3><span id=\"rdp-ebb-\u03949-THC_conversion_markers\"><\/span><span class=\"mw-headline\" id=\".CE.949-THC_conversion_markers\">\u0394<sup>9<\/sup>-THC conversion markers<\/span><\/h3>\n<p>Samples were analyzed to determine whether the \u0394<sup>9<\/sup>-THC present was naturally occurring in the hemp plant or whether it was produced through conversion from CBD. While it is not possible to determine the source of the \u0394<sup>9<\/sup>-THC with absolute certainty, there are several indicators that strongly suggest one of three sources: the \u0394<sup>9<\/sup>-THC naturally produced by a hemp plant, \u0394<sup>9<\/sup>-THC sourced from a cannabis plant, and \u0394<sup>9<\/sup>-THC resulting from a conversion from CBD. Additional File 1 contains more detail about the markers used and the underlying chemistry. Note that these analyses were only performed with 49\/53 products, due to very low quantities of minor cannabinoids in three samples, which made identification of the source challenging, and the remaining sample contained no THC.\n<\/p>\n<h3><span id=\"rdp-ebb-Trans:cis-\u03949-THC_ratio\"><\/span><span class=\"mw-headline\" id=\"Trans:cis-.CE.949-THC_ratio\"><i>Trans:cis<\/i>-\u0394<sup>9<\/sup>-THC ratio<\/span><\/h3>\n<p>Schafroth <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:6_18-0\" class=\"reference\"><a href=\"#cite_note-:6-18\">[18]<\/a><\/sup> found that while <i>cis<\/i>-\u0394<sup>9<\/sup>-THC was entirely absent from a high-THC Bedrocan cultivar, 28\/31 (90.3%) of hemp plants had <i>trans:cis<\/i> ratios between 1.3:1 and 8:1. These observations suggest that the biosynthetic pathways to produce \u0394<sup>9<\/sup>-THC in classical hemp strains are not stereospecific and produce both <i>trans<\/i>-\u0394<sup>9<\/sup>- and <i>cis<\/i>-\u0394<sup>9<\/sup>-THC, while high-THC cannabis strains have a strongly stereospecific pathway to produce the (-)-<i>trans<\/i>-\u0394<sup>9<\/sup>-THC. The delineation of the two strain types based on the presence\/absence of <i>cis<\/i>-\u0394<sup>9<\/sup>-THC can therefore provide potential markers to identify the source of \u0394<sup>9<\/sup>-THC.\n<\/p><p>Since it is possible to synthetically form (-)-<i>trans<\/i>-\u0394<sup>9<\/sup>-THC directly from (-)-<i>trans<\/i>-CBD through an isomerization-free mechanism (Fig. 1), the ratios of <i>trans:cis<\/i>-\u0394<sup>9<\/sup>-THC in distillate converted from CBD can be expected to far exceed the ratios seen in natural hemp extracts. In contrast, oxidative cyclization from CBGA is the main source for biosynthesized THCA<sup id=\"rdp-ebb-cite_ref-19\" class=\"reference\"><a href=\"#cite_note-19\">[19]<\/a><\/sup>, and while natural conversion from CBD could theoretically produce <i>cis<\/i>-\u0394<sup>9<\/sup>-THC, this process would also lead to substantial amounts of \u0394<sup>8<\/sup>- and \u0394<sup>10<\/sup>-THC in <i>Cannabis<\/i> plants<sup id=\"rdp-ebb-cite_ref-20\" class=\"reference\"><a href=\"#cite_note-20\">[20]<\/a><\/sup>, which is not observed. Therefore, in this analysis, <i>trans:cis<\/i> ratios > 8:1 are taken as evidence that the source of the THC is not hemp. If there is no <i>cis<\/i>-\u0394<sup>9<\/sup>-THC in the sample, it is likely the THC is sourced from cannabis.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Johnson_JofCannRes23_5.png\" class=\"image wiki-link\" data-key=\"630b84298d3a2cfa3045457e3f0ba33a\"><img alt=\"Fig1 Johnson JofCannRes23 5.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/d\/dc\/Fig1_Johnson_JofCannRes23_5.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 1.<\/b> General scheme of conversion of (-)-<i>trans<\/i>-CBD to (-)-<i>trans<\/i>-\u0394<sup>9<\/sup>-THC.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span id=\"rdp-ebb-The_quantity_of_\u03948-THC_and_\u03948-iso-THC\"><\/span><span class=\"mw-headline\" id=\"The_quantity_of_.CE.948-THC_and_.CE.948-iso-THC\">The quantity of \u0394<sup>8<\/sup>-THC and \u0394<sup>8<\/sup>-<i>iso<\/i>-THC<\/span><\/h3>\n<p>\u0394<sup>8<\/sup>-THC occurs naturally in <i>Cannabis sativa<\/i> L., but only in negligible amounts.<sup id=\"rdp-ebb-cite_ref-:2_8-2\" class=\"reference\"><a href=\"#cite_note-:2-8\">[8]<\/a><\/sup> \u0394<sup>8<\/sup>-THC is formed during conversion from CBD to \u0394<sup>9<\/sup>-THC<sup id=\"rdp-ebb-cite_ref-:3_10-1\" class=\"reference\"><a href=\"#cite_note-:3-10\">[10]<\/a><\/sup>, as is \u0394<sup>8<\/sup>-<i>iso<\/i>-THC (along with its isomerized partner \u0394<sup>4<sup>(8)<\/sup><\/sup>-<i>iso<\/i>-THC). This \u201cmiscyclization\u201d only presents itself in conversion reactions. This means that products created using naturally sourced \u0394<sup>9<\/sup>-THC should have little to no \u0394<sup>8<\/sup>-THC, with >1% \u0394<sup>8<\/sup>-<i>iso<\/i>-THC+\u0394<sup>8<\/sup>-THC (relative to the \u0394<sup>9<\/sup>-THC amount) being taken as evidence of conversion from CBD via cyclization.<sup id=\"rdp-ebb-cite_ref-:3_10-2\" class=\"reference\"><a href=\"#cite_note-:3-10\">[10]<\/a><\/sup>\n<\/p><p>Delineation of the \u0394<sup>8<\/sup>-<i>iso<\/i>-THC and \u0394<sup>8<\/sup>-THC amounts was not performed for this study, as the samples were run under standard UHPLC-DAD conditions for quantitation. The reported amounts of \u0394<sup>8<\/sup>-THC, therefore, represent the combined contributions of both compounds.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"The_quantity_of_cannabigerol\">The quantity of cannabigerol<\/span><\/h3>\n<p>The presence and quantity of CBG and other minor cannabinoids were also used as indicators of the source of the \u0394<sup>9<\/sup>-THC. Just as the \u0394<sup>8<\/sup>-THC in commercial products is produced via cyclization from CBD<sup id=\"rdp-ebb-cite_ref-:2_8-3\" class=\"reference\"><a href=\"#cite_note-:2-8\">[8]<\/a><\/sup> because levels in \u201chemp\u201d (i.e., <i>Cannabis sativa<\/i> L. plants with less than 0.3% \u0394<sup>9<\/sup>-THC) are not naturally high enough to have a psychoactive effect, the low \u0394<sup>9<\/sup>-THC levels in many hemp plants<sup id=\"rdp-ebb-cite_ref-:6_18-1\" class=\"reference\"><a href=\"#cite_note-:6-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:7_21-0\" class=\"reference\"><a href=\"#cite_note-:7-21\">[21]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-22\" class=\"reference\"><a href=\"#cite_note-22\">[22]<\/a><\/sup> may encourage manufacturers to use the same approach. Since CBD is the starting point for the cyclization reactions, the most efficient starting material is high-purity CBD \u201cisolate,\u201d which is not likely to have significant amounts of CBG present.\n<\/p><p>However, while natural hemp<sup id=\"rdp-ebb-cite_ref-:6_18-2\" class=\"reference\"><a href=\"#cite_note-:6-18\">[18]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:7_21-1\" class=\"reference\"><a href=\"#cite_note-:7-21\">[21]<\/a><\/sup> and cannabis<sup id=\"rdp-ebb-cite_ref-23\" class=\"reference\"><a href=\"#cite_note-23\">[23]<\/a><\/sup> contain minor cannabinoids such as CBG, this is not a product of the cyclization reaction.<sup id=\"rdp-ebb-cite_ref-:2_8-4\" class=\"reference\"><a href=\"#cite_note-:2-8\">[8]<\/a><\/sup> If CBG is not present in the starting material nor a product of the conversion, it would not be expected to be present in converted \u0394<sup>9<\/sup>-THC. Therefore, products with low quantities of CBG (<1% of total \u0394<sup>9<\/sup>-THC content) are more likely to use converted \u0394<sup>9<\/sup>-THC and those with higher quantities are more likely to use naturally sourced \u0394<sup>9<\/sup>-THC.\n<\/p><p>Exact translation of fixed metrics for the \u0394<sup>9<\/sup>-THC products in the study was not possible due to the wide range of \u0394<sup>9<\/sup>-THC quantity in each product, but using the relative amounts of the three components along with some judgment calls allowed for grouping of each product into the three categories with reasonable confidence.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Age_verification_checks\">Age verification checks<\/span><\/h3>\n<p>Since all products were purchased from the companies\u2019 websites, their use of age verification measures was considered. For each product, we noted if they required an ID to be presented on purchase or if an easily-circumvented method (e.g., simply entering a birth date)<sup id=\"rdp-ebb-cite_ref-:8_24-0\" class=\"reference\"><a href=\"#cite_note-:8-24\">[24]<\/a><\/sup> was used. Additionally, we also noted how many products required an adult signature on delivery.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Packaging_and_labeling\">Packaging and labeling<\/span><\/h3>\n<p>The 53 products considered were inspected for warning labels, batch IDs, child-resistant containers, and the cannabis universal symbol (intended to alert consumers that the product contains large amounts of THC).\n<\/p><p>We define a warning label as a clear statement on the packaging that the product is intoxicating, is dangerous to minors and pets, or has specific situations in which you should not use the product, such as:\n<\/p>\n<ul><li>For adults 18+, or 21+ where state law applies<\/li>\n<li>Will intoxicate, use extreme caution<\/li>\n<li>Keep away from children or pets<\/li>\n<li>Don\u2019t drive after using<\/li>\n<li>Don\u2019t operate heavy machinery<\/li>\n<li>Don\u2019t consume if pregnant or breastfeeding<\/li>\n<li>Don\u2019t consume if you are subject to drug testing<\/li>\n<li>Consult with your physician before use<\/li><\/ul>\n<p>Batch IDs are unique codes which identify a specific production batch of a product, thus enabling identification of other affected products in the event of contamination. These can have numerous formats, with an example from a purchased product being \u201cE21362-10HC.\u201d\n<\/p><p>Child-resistant containers are defined in law<sup id=\"rdp-ebb-cite_ref-25\" class=\"reference\"><a href=\"#cite_note-25\">[25]<\/a><\/sup> as those which 85% of children aged three to five cannot open within five minutes without a demonstration and which 80% still cannot open even after a demonstration. For example, a child-resistant cap may require the user to push down and twist the cap to open, rather than simply twisting. We did not test the packaging first-hand or verify that it met the legal definition, but took the presence of child-proofing mechanisms (such as a child-resistant cap) as evidence of a child-resistant container.\n<\/p><p>The cannabis universal symbol (Fig. 2) or some variation thereof is used to signify to consumers that the product contains cannabis and may be intoxicating. This is not required under the 2018 Farm Bill<sup id=\"rdp-ebb-cite_ref-:0_5-1\" class=\"reference\"><a href=\"#cite_note-:0-5\">[5]<\/a><\/sup>, but it is required for high-THC products sold in adult-use markets such as California.<sup id=\"rdp-ebb-cite_ref-:9_26-0\" class=\"reference\"><a href=\"#cite_note-:9-26\">[26]<\/a><\/sup>\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Johnson_JofCannRes23_5.png\" class=\"image wiki-link\" data-key=\"fc3a08af8e86b9ed2bec7ef487faa2e6\"><img alt=\"Fig2 Johnson JofCannRes23 5.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/3\/33\/Fig2_Johnson_JofCannRes23_5.png\" decoding=\"async\" width=\"300\" height=\"340\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 2.<\/b> The cannabis universal symbol as used in California.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Lab_reports_provided_by_companies\">Lab reports provided by companies<\/span><\/h3>\n<p>In most cases, hemp consumers must depend on a <a href=\"https:\/\/www.limswiki.org\/index.php\/Certificate_of_analysis\" title=\"Certificate of analysis\" class=\"wiki-link\" data-key=\"06e3188367797e8cfa8be0cd20433efd\">certificate of analysis<\/a> (COA) provided by the company itself to determine the true potency and safety of the product in question. These were also analyzed, in particular, whether they were tested for impurities or just potency, whether the lab used was ISO-accredited, and whether they were DEA-certified.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Results\">Results<\/span><\/h2>\n<h3><span id=\"rdp-ebb-Advertised_and_measured_\u03949-THC_potencies_vs._adult-use_states\u2019_standard_dosage\"><\/span><span class=\"mw-headline\" id=\"Advertised_and_measured_.CE.949-THC_potencies_vs._adult-use_states.E2.80.99_standard_dosage\">Advertised and measured \u0394<sup>9<\/sup>-THC potencies vs. adult-use states\u2019 standard dosage<\/span><\/h3>\n<p>The considered products advertised between 0.5 and 40 mg of \u0394<sup>9<\/sup>-THC per serving, with an average of 12.98 mg per serving across all products. Even the average figure is higher than the limit of 10 mg \u0394<sup>9<\/sup>-THC placed on edibles in legal states such as Colorado and California, and the highest exceeds it by a factor of four. The mode of the dataset was 10 mg, but many products go beyond this limit. Based on lab-measured potencies, the mean was 10.08 mg, which is still slightly above the limit for most legal states. The highest lab-measured potency was 36.68 mg\/serving, almost 3.7-fold higher than most adult-use limits.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Potencies_of_other_cannabinoids\">Potencies of other cannabinoids<\/span><\/h3>\n<p>The products sampled also contained small amounts of other cannabinoids. On average, the products contained 0.88% CBD, 0.026% CBC, 0.024% CBG, 0.004% CBN, and 0.03% \u0394<sup>8<\/sup>-THC.\n<\/p>\n<h3><span id=\"rdp-ebb-Legality_of_commercial_hemp_\u03949-THC_products\"><\/span><span class=\"mw-headline\" id=\"Legality_of_commercial_hemp_.CE.949-THC_products\">Legality of commercial hemp \u0394<sup>9<\/sup>-THC products<\/span><\/h3>\n<p>Industrial hemp products are considered legal if they contain less than 0.3% \u0394<sup>9<\/sup>-THC by dry weight. Of the 53 products analyzed, 96.2% (51 products) fell within the legal limit for \u0394<sup>9<\/sup>-THC. The 2 products that exceeded the limit were the Blueberry Citrus Burst gummies from Delta Extrax (0.419% \u0394<sup>9<\/sup>-THC) and the Straw Blasted gummies from Hixotic (0.31% \u0394<sup>9<\/sup>-THC). The average for all products was 0.154% \u0394<sup>9<\/sup>-THC, showing clearly that in many cases, the products are not even close to the legal limit. Overall, the vast majority of the hemp-derived \u0394<sup>9<\/sup>-THC products likely fall within limits specified by the Farm Bill.\n<\/p>\n<h3><span id=\"rdp-ebb-Comparison_of_advertised_and_measured_\u03949-THC_potency\"><\/span><span class=\"mw-headline\" id=\"Comparison_of_advertised_and_measured_.CE.949-THC_potency\">Comparison of advertised and measured \u0394<sup>9<\/sup>-THC potency<\/span><\/h3>\n<p>The measured amounts of \u0394<sup>9<\/sup>-THC were compared with the amounts listed on the website and\/or product packaging. Considering anything within 10% of the stated potency to be \u201caccurately labeled,\u201d the results show that 66.0% (35\/53) of products were not accurately labeled. For all of the products, the average measured potency was 82.4% of the advertised amount (i.e., the mean of [measured potency\/advertised potency] \u00d7 100 % = 82.4%). For the inaccurately labeled products, the average was 73.3% of the advertised amount. Overall, 88.6% of the mislabeled products contained less \u0394<sup>9<\/sup>-THC than advertised (Fig. 3).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Johnson_JofCannRes23_5.png\" class=\"image wiki-link\" data-key=\"680332427782388798bdead8c2088968\"><img alt=\"Fig3 Johnson JofCannRes23 5.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/b\/bd\/Fig3_Johnson_JofCannRes23_5.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 3.<\/b> Measured vs. advertised dose in hemp-derived \u0394<sup>9<\/sup>-THC products.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span id=\"rdp-ebb-Impurities_in_\u03949-THC_products\"><\/span><span class=\"mw-headline\" id=\"Impurities_in_.CE.949-THC_products\">Impurities in \u0394<sup>9<\/sup>-THC products<\/span><\/h3>\n<p>No pesticide residue, solvent residue, heavy metal contamination, microbial contamination, mycotoxins, or foreign matter were detected in any of the 10 products that were tested.\n<\/p>\n<h3><span id=\"rdp-ebb-Trans:cis-\u03949-THC_ratios\"><\/span><span class=\"mw-headline\" id=\"Trans:cis-.CE.949-THC_ratios\"><b>Trans:cis<\/b>-\u0394<sup>9<\/sup>-THC ratios<\/span><\/h3>\n<p>The ratio of <i>trans<\/i> to <i>cis<\/i> \u0394<sup>9<\/sup>-THC was used to determine whether the product likely used THC either sourced from cannabis or converted via cyclization, with hemp plants generally having a ratio of 8:1 or lower.<sup id=\"rdp-ebb-cite_ref-:6_18-3\" class=\"reference\"><a href=\"#cite_note-:6-18\">[18]<\/a><\/sup> The analysis showed that 77.6% (38\/49) of products had ratios above the range expected for hemp plants.\n<\/p>\n<h3><span id=\"rdp-ebb-\u03948-THC_+_\u03948-iso-THC_content_of_products\"><\/span><span class=\"mw-headline\" id=\".CE.948-THC_.2B_.CE.948-iso-THC_content_of_products\">\u0394<sup>8<\/sup>-THC + \u0394<sup>8<\/sup>-<i>iso<\/i>-THC content of products<\/span><\/h3>\n<p>With only negligible quantities of \u0394<sup>8<\/sup>-THC in natural hemp or cannabis plants, products with \u0394<sup>8<\/sup>-THC + \u0394<sup>8<\/sup>-<i>iso<\/i>-THC at levels >1% of the total \u0394<sup>9<\/sup>-THC content likely involved some THC production from cyclization. A total 63.3% (31\/49) of products contained more than 1% \u0394<sup>8<\/sup>-THC + \u0394<sup>8<\/sup>-<i>iso<\/i>-THC.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"CBG_content_of_products\">CBG content of products<\/span><\/h3>\n<p>Minor cannabinoids such as CBG are commonly found in products sourced from hemp or cannabis, but are almost entirely absent from products produced via cyclization. In the analysis, 38.8% (19\/49) of products contained less than 1% CBG (relative to total \u0394<sup>9<\/sup>-THC content) and thus were less likely to be made using natural cannabis or hemp extract.\n<\/p>\n<h3><span id=\"rdp-ebb-Naturally_occurring_vs._converted_\u03949-THC\"><\/span><span class=\"mw-headline\" id=\"Naturally_occurring_vs._converted_.CE.949-THC\">Naturally occurring vs. converted \u0394<sup>9<\/sup>-THC<\/span><\/h3>\n<p>Based on the lab analysis and specifically the factors discussed above, InfiniteCAL estimated that 49.0% (24\/49) of products used \u0394<sup>9<\/sup>-THC that had been converted from CBD through cyclization. The results also suggested that 26.5% (13\/49) used \u0394<sup>9<\/sup>-THC sourced from cannabis to meet their stated dosage and that only 18.4% (9\/49) probably used natural hemp-derived \u0394<sup>9<\/sup>-THC. The remaining four products studied could not be classified.\n<\/p>\n<h3><span id=\"rdp-ebb-Analyzing_the_COAs_provided_by_hemp-derived_\u03949-THC_companies\"><\/span><span class=\"mw-headline\" id=\"Analyzing_the_COAs_provided_by_hemp-derived_.CE.949-THC_companies\">Analyzing the COAs provided by hemp-derived \u0394<sup>9<\/sup>-THC companies<\/span><\/h3>\n<p>84.9% (45\/53) of the hemp-derived \u0394<sup>9<\/sup>-THC products investigated had an associated COA available to customers. Of these products with COAs, 71.1% (32\/45) were not tested for impurities, with tests conducted only to verify potency. In total, then, 75.5% (40\/53) of products were not proven to be free from impurities (although testing a random sample of 10 revealed no issues, as discussed above).\n<\/p><p>80% (36\/45) of COAs were obtained from ISO\/IEC 17025:2017-certified labs, and accreditation certificates were verified through Perry Johnson Laboratory Accreditation (PJLA), American Association for Laboratory Accreditation (A2LA), and International Laboratory Accreditation Cooperation (ILAC) databases. In addition, 51.1% (23\/45) of COAs were from labs that were DEA-certified.\n<\/p>\n<h3><span id=\"rdp-ebb-Labeling_of_hemp-derived_\u03949-THC_products\"><\/span><span class=\"mw-headline\" id=\"Labeling_of_hemp-derived_.CE.949-THC_products\">Labeling of hemp-derived \u0394<sup>9<\/sup>-THC products<\/span><\/h3>\n<p>Customers depend on labels for important information and warnings about the contents of a product. It was found that 83.0% (44\/53) of products had some form of warning label.\n<\/p><p>However, 73.6% (39\/53) of products did not include the cannabis universal symbol (or some variation thereof) on their packaging. In adult-use states, this is required to inform customers that the product contains large amounts of THC.<sup id=\"rdp-ebb-cite_ref-:9_26-1\" class=\"reference\"><a href=\"#cite_note-:9-26\">[26]<\/a><\/sup> Additionally, 50.9% (27\/53) of products did not include a batch ID on the label, which means it will be difficult or even impossible to trace any issues back to a specific batch and inform consumers and retailers of the issue.\n<\/p>\n<h3><span id=\"rdp-ebb-Age_verification_and_child-resistant_packaging_for_hemp-derived_\u03949-THC_products\"><\/span><span class=\"mw-headline\" id=\"Age_verification_and_child-resistant_packaging_for_hemp-derived_.CE.949-THC_products\">Age verification and child-resistant packaging for hemp-derived \u0394<sup>9<\/sup>-THC products<\/span><\/h3>\n<p>The products we sampled largely did not include child-resistant packaging, with 81.1% (43\/53) not using a child-resistant container. This would be illegal in adult-use markets such as California<sup id=\"rdp-ebb-cite_ref-:9_26-2\" class=\"reference\"><a href=\"#cite_note-:9-26\">[26]<\/a><\/sup>, for instance.\n<\/p><p>For age verification, 84.9% (45\/53) of companies did not perform online age verification at checkout. The companies which did all used AgeChecker, which verifies age by cell phone verification and requiring customers to upload a \u201cselfie\u201d with their ID, as well as provide a clear picture of it. Additionally, 98.1% of companies (52\/53) did not require an adult signature on delivery. All but one product was simply left in the mailbox without obtaining any form of signature.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Discussion\">Discussion<\/span><\/h2>\n<p>The lab analysis revealed that the industry offers what it claims in some ways, but potentially misleads or does not inform customers in others. On the one hand, it is clear that the vast majority of products (96.2%) fall within the legal \u0394<sup>9<\/sup>-THC limits established by the 2018 federal Farm Bill.<sup id=\"rdp-ebb-cite_ref-:0_5-2\" class=\"reference\"><a href=\"#cite_note-:0-5\">[5]<\/a><\/sup> Additionally, the tests conducted suggest that impurities are not a substantial issue for companies producing hemp-derived \u0394<sup>9<\/sup>-THC products.\n<\/p><p>However, the investigation also revealed several points which may be concerning from a consumer perspective. Firstly, in many cases, the advertised dosages are substantially higher than would be allowed in any regulated, legal, high-THC cannabis market in the country. Secondly, most of the products (73.6%) do not include the cannabis universal symbol to warn potential consumers of their high \u0394<sup>9<\/sup>-THC content. Despite the fact that most (84.9%) products are backed with a COA, since most of these do not include impurity testing, 75.5% of hemp-derived \u0394<sup>9<\/sup>-THC products are not safety tested. This problem is compounded by the lack of batch labeling for 50.9% of products. Finally, and potentially the largest issue for consumers is the fact that 66.0% of products differ from the \u0394<sup>9<\/sup>-THC dosage stated on their labels by 10% or more, usually providing less than advertised.\n<\/p><p>Considering the potential risks of excessive amounts of THC<sup id=\"rdp-ebb-cite_ref-27\" class=\"reference\"><a href=\"#cite_note-27\">[27]<\/a><\/sup>, the combination of factors here could be a cause for concern. Customers in adult-use states expect the cannabis universal symbol or some variation thereof on high-THC products, with over 80% of states with medical cannabis requiring this, for instance.<sup id=\"rdp-ebb-cite_ref-28\" class=\"reference\"><a href=\"#cite_note-28\">[28]<\/a><\/sup> In many cases, even the advertised dosages exceed those considered acceptable in adult-use states. Additionally, two out of three products differ from the stated dose by over 10%, which makes it difficult\u2014if not impossible\u2014for customers to know how much THC they will actually consume. The problem from a consumer perspective is one of consent: people may buy under the assumption that the product is \u201cjust hemp\u201d or at least \"not high-THC,\" and others may get more THC than they wanted or were informed of through labeling. These issues could be solved by the industry, but legislators might also take steps such as setting a total THC cap on hemp products or requiring accurate labeling.\n<\/p><p>Despite some concern about youth access to intoxicating hemp products<sup id=\"rdp-ebb-cite_ref-29\" class=\"reference\"><a href=\"#cite_note-29\">[29]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-30\" class=\"reference\"><a href=\"#cite_note-30\">[30]<\/a><\/sup>, the analysis revealed many problems with how companies attempt to prevent under-age purchases and access. In particular, only eight of 53 products (15.1%) required any form of age verification prior to the order being placed. This means that in the remainder of cases, all people had to do prior to making a purchase is either input a date of birth or click a button confirming that he\/she is over 21. These systems can be easily circumvented or simply lied to<sup id=\"rdp-ebb-cite_ref-:8_24-1\" class=\"reference\"><a href=\"#cite_note-:8-24\">[24]<\/a><\/sup> and so do not constitute age verification. The remaining purchases had age verification through AgeChecker, which uses public records and images of ID to determine the customer\u2019s true age. Additionally, only one product (1.9%) required an adult signature on delivery, and the remainder simply allowed the delivery to be left in the mailbox.\n<\/p><p>While getting a valid card to pay may be a challenge, this is essentially the only thing preventing youths from accessing high-THC hemp products such as those in this study. From this point onwards, a youth could easily place an order (simply using an alternative website if they initially chose one of the 15% which performs age checks) and receive the delivery without having to present ID at any stage. In the absence of further laws\u2014requiring a signature on delivery for intoxicating hemp products, for instance\u2014this situation is difficult to rectify.\n<\/p><p>Finally, the lab analysis showed that 96.2% of hemp-derived \u0394<sup>9<\/sup>-THC products do fall within the limits established by the Farm Bill. This is a positive sign for the industry, noting that current legal opinion suggests that hemp-derived \u0394<sup>9<\/sup>-THC is legal in the absence of further state legislation.\n<\/p><p>However, the finding that 49% of products used \u0394<sup>9<\/sup>-THC converted from CBD may challenge this in some localities. Colorado<sup id=\"rdp-ebb-cite_ref-:4_11-1\" class=\"reference\"><a href=\"#cite_note-:4-11\">[11]<\/a><\/sup>, for example, restricts \u0394<sup>8<\/sup>-THC on the basis that \u201cchemically modifying or converting any naturally occurring cannabinoids from industrial hemp is non-compliant with the statutory definition of \u2018industrial hemp product',\" and Massachusetts<sup id=\"rdp-ebb-cite_ref-:5_12-1\" class=\"reference\"><a href=\"#cite_note-:5-12\">[12]<\/a><\/sup> has a similar approach. These laws would also apply to \u0394<sup>9<\/sup>-THC products advertised as hemp if levels were increased by conversion from CBD. Maryland is also considering<sup id=\"rdp-ebb-cite_ref-31\" class=\"reference\"><a href=\"#cite_note-31\">[31]<\/a><\/sup> regulations on THC products that are synthetically or artificially derived.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Limitations_and_implications_of_the_research\">Limitations and implications of the research<\/span><\/h3>\n<p>There are some limitations of the analysis. Firstly, owing to the nature of the market, the majority of products (86.8%) tested were gummies, candies, or other edibles, with relatively few drinks, tinctures, and vaping products. While this represents the market closely, it may be that other product types differ in some important ways (for example, being more likely to exceed the legal limit for \u0394<sup>9<\/sup>-THC ). Unfortunately, the sample did not include enough non-edible samples to investigate differences by product type. Only one sample of each product was analyzed, but values could (and likely do) vary by the individual sample and not just by product. There was also some time (less than two weeks in all cases) between purchase and testing, which could feasibly have impacted the results through degradation, despite all products being sealed until testing.\n<\/p><p>The results show the consequences of the legal loophole which hemp-derived \u0394<sup>9<\/sup>-THC companies are currently operating in. With no centralized regulatory body, and very little in the way of state-specific regulations in most cases, intoxicating hemp products are currently allowed to operate with minimal oversight. This is why, for instance, that not all products are accompanied by a COA, why dosages (both advertised and actual) vary so wildly, and why in most cases age verification is essentially absent.\n<\/p><p>There are three avenues that could help companies and regulators find a potential solution to these issues. Firstly, states with adult-use or medical marijuana programs could incorporate intoxicating hemp products into their existing legal framework for legal cannabis. This would include, for instance, maximum doses of \u0394<sup>9<\/sup>-THC (or indeed other THCs) per serving and per package, as well as lab testing requirements. Secondly, states could improve their hemp legislation to account for intoxicating products, enabling them to implement similar restrictions on THC-rich products and require age verification. Finally, the industry itself could adopt reasonable standards in the absence of official guidance. In the manner most companies now offer COAs for their products, they may (through hemp industry organizations) institute mandatory age checks and standardized testing requirements.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusion\">Conclusion<\/span><\/h2>\n<p>The legal status of hemp-derived \u0394<sup>9<\/sup>-THC products in America essentially permits their open sale while placing very few requirements on the companies selling them. The results of this lab and market analysis show the consequences of this policy: products are sold that have 3.7 times the THC content of edibles in adult-use states, and age verification, safety testing, and accurate dosages are neither required nor often present. On top of this, 49% of products use THC converted from CBD, which explicitly contradicts the law in some states but raises issues with the Farm Bill\u2019s definition of \u201chemp\u201d in any case. The industry meets some common-sense requirements\u2014such as almost all products being within legal limits and none having issues with impurities\u2014but there is also a lot of work to do in several key areas.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>CBD<\/b>: cannabidiol<\/li>\n<li><b>CBDA<\/b>: cannabidiolic acid<\/li>\n<li><b>CBDV<\/b>: cannabidivarin<\/li>\n<li><b>CBG<\/b>: cannabigerol<\/li>\n<li><b>CBGA<\/b>: cannabigerolic acid<\/li>\n<li><b>CBN<\/b>: cannabinol<\/li>\n<li><b>COA<\/b>: certificate of Analysis<\/li>\n<li><b>DCC<\/b>: Department of Cannabis Control<\/li>\n<li><b>DEA<\/b>: Drug Enforcement Administration<\/li>\n<li><b>GC MS\/MS<\/b>: gas chromatography triple quad mass spectrometry<\/li>\n<li><b>HPLC<\/b>: high-performance liquid chromatography<\/li>\n<li><b>HS-GC-MS<\/b>: headspace gas chromatography single quad mass spectrometry<\/li>\n<li><b>ICP-MS<\/b>: inductively coupled plasma mass spectrometry<\/li>\n<li><b>ISO\/IEC<\/b>: International Organization for Standardization \/ International Electrotechnical Commission<\/li>\n<li><b>KED<\/b>: kinetic energy discrimination<\/li>\n<li><b>LC-MS\/MS<\/b>: liquid chromatography triple quad mass spectrometry<\/li>\n<li><b>qPCR<\/b>: real-time polymerase chain reaction<\/li>\n<li><b>THC:<\/b>: tetrahydrocannabinol<\/li>\n<li><b>THCA<\/b>: tetrahydrocannabinolic acid<\/li>\n<li><b>THCV<\/b>: tetrahydrocannabivarin<\/li>\n<li><b>UHPLC-DAD<\/b>: ultra-high-performance liquid chromatography coupled with a diode array detector<\/li>\n<li><b>UV<\/b>: ultraviolet<\/li><\/ul>\n<h3><span class=\"mw-headline\" id=\"Supplementary_information\">Supplementary information<\/span><\/h3>\n<ul><li><b>Additional File 1<\/b>: <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/static-content.springer.com\/esm\/art%3A10.1186%2Fs42238-023-00197-6\/MediaObjects\/42238_2023_197_MOESM1_ESM.docx\" target=\"_blank\">Kramer, M.; Lomas, S., 2017<\/a> (.docx)<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>The authors would like to acknowledge Houman Shahi, for his support, guidance, and organizational assistance throughout the process.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>LJ and MM planned the research and wrote the majority of the manuscript. DB planned and organized the data collection. EP, JS, DM, and SA performed the lab work and wrote the \u201c\u22069 THC Conversion Markers\u201d supplementary information, with support from DB. All authors approved the finished version of the manuscript.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>The research was funded by <i>CBD Oracle<\/i>.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Availability_of_data_and_materials\">Availability of data and materials<\/span><\/h3>\n<p>The original lab reports for each product are available in a Google Drive.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Competing_interests\">Competing interests<\/span><\/h3>\n<p>LJ and MM are employed by <i>CBD Oracle<\/i>, a CBD and cannabis consumer website. While they have no financial incentive for any particular result, they are advocates of cannabis and hemp. The remaining authors declare that they have no competing interests.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"References\">References<\/span><\/h2>\n<div class=\"reflist references-column-width\" style=\"-moz-column-width: 30em; -webkit-column-width: 30em; column-width: 30em; list-style-type: decimal;\">\n<div class=\"mw-references-wrap mw-references-columns\"><ol class=\"references\">\n<li id=\"cite_note-1\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-1\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Cooper, Ziva D.; Haney, Margaret (1 January 2009). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.tandfonline.com\/doi\/full\/10.1080\/09540260902782752\" target=\"_blank\">\"Actions of delta-9-tetrahydrocannabinol in cannabis: Relation to use, abuse, dependence\"<\/a> (in en). <i>International Review of Psychiatry<\/i> <b>21<\/b> (2): 104\u2013112. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1080%2F09540260902782752\" target=\"_blank\">10.1080\/09540260902782752<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0954-0261\" target=\"_blank\">0954-0261<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC2731700\/\" target=\"_blank\">PMC2731700<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/19367504\" target=\"_blank\">19367504<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.tandfonline.com\/doi\/full\/10.1080\/09540260902782752\" target=\"_blank\">http:\/\/www.tandfonline.com\/doi\/full\/10.1080\/09540260902782752<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Actions+of+delta-9-tetrahydrocannabinol+in+cannabis%3A+Relation+to+use%2C+abuse%2C+dependence&rft.jtitle=International+Review+of+Psychiatry&rft.aulast=Cooper&rft.aufirst=Ziva+D.&rft.au=Cooper%2C%26%2332%3BZiva+D.&rft.au=Haney%2C%26%2332%3BMargaret&rft.date=1+January+2009&rft.volume=21&rft.issue=2&rft.pages=104%E2%80%93112&rft_id=info:doi\/10.1080%2F09540260902782752&rft.issn=0954-0261&rft_id=info:pmc\/PMC2731700&rft_id=info:pmid\/19367504&rft_id=http%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.1080%2F09540260902782752&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-2\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-2\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Russo, Ethan B.; McPartland, John M. (1 February 2003). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s00213-002-1348-z\" target=\"_blank\">\"Cannabis is more than simply \u03949-tetrahydrocannabinol\"<\/a> (in en). <i>Psychopharmacology<\/i> <b>165<\/b> (4): 431\u2013432. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00213-002-1348-z\" target=\"_blank\">10.1007\/s00213-002-1348-z<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0033-3158\" target=\"_blank\">0033-3158<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s00213-002-1348-z\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s00213-002-1348-z<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabis+is+more+than+simply+%CE%949-tetrahydrocannabinol&rft.jtitle=Psychopharmacology&rft.aulast=Russo&rft.aufirst=Ethan+B.&rft.au=Russo%2C%26%2332%3BEthan+B.&rft.au=McPartland%2C%26%2332%3BJohn+M.&rft.date=1+February+2003&rft.volume=165&rft.issue=4&rft.pages=431%E2%80%93432&rft_id=info:doi\/10.1007%2Fs00213-002-1348-z&rft.issn=0033-3158&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs00213-002-1348-z&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-3\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-3\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Committee on the Health Effects of Marijuana: An Evidence Review and Research Agenda; Board on Population Health and Public Health Practice; Health and Medicine Division; National Academies of Sciences, Engineering, and Medicine (31 March 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nap.edu\/catalog\/24625\" target=\"_blank\">\"Chapter 4: Therapeutic Effects of Cannabis and Cannabinoids\"<\/a>. <i>The Health Effects of Cannabis and Cannabinoids: The Current State of Evidence and Recommendations for Research<\/i>. Washington, D.C.: National Academies Press. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.17226%2F24625\" target=\"_blank\">10.17226\/24625<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-309-45304-2<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nap.edu\/catalog\/24625\" target=\"_blank\">https:\/\/www.nap.edu\/catalog\/24625<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Chapter+4%3A+Therapeutic+Effects+of+Cannabis+and+Cannabinoids&rft.atitle=The+Health+Effects+of+Cannabis+and+Cannabinoids%3A+The+Current+State+of+Evidence+and+Recommendations+for+Research&rft.aulast=Committee+on+the+Health+Effects+of+Marijuana%3A+An+Evidence+Review+and+Research+Agenda&rft.au=Committee+on+the+Health+Effects+of+Marijuana%3A+An+Evidence+Review+and+Research+Agenda&rft.au=Board+on+Population+Health+and+Public+Health+Practice&rft.au=Health+and+Medicine+Division&rft.au=National+Academies+of+Sciences%2C+Engineering%2C+and+Medicine&rft.date=31+March+2017&rft.place=Washington%2C+D.C.&rft.pub=National+Academies+Press&rft_id=info:doi\/10.17226%2F24625&rft.isbn=978-0-309-45304-2&rft_id=https%3A%2F%2Fwww.nap.edu%2Fcatalog%2F24625&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-4\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-4\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">National Conference of State Legislatures (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ncsl.org\/health\/state-medical-cannabis-laws\" target=\"_blank\">\"Report: State Medical Cannabis Laws\"<\/a>. National Conference of State Legislatures<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ncsl.org\/health\/state-medical-cannabis-laws\" target=\"_blank\">https:\/\/www.ncsl.org\/health\/state-medical-cannabis-laws<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Report%3A+State+Medical+Cannabis+Laws&rft.atitle=&rft.aulast=National+Conference+of+State+Legislatures&rft.au=National+Conference+of+State+Legislatures&rft.date=2023&rft.pub=National+Conference+of+State+Legislatures&rft_id=https%3A%2F%2Fwww.ncsl.org%2Fhealth%2Fstate-medical-cannabis-laws&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-5\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_5-0\">5.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_5-1\">5.1<\/a><\/sup> <sup><a href=\"#cite_ref-:0_5-2\">5.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.congress.gov\/115\/bills\/hr2\/BILLS-115hr2enr.pdf\" target=\"_blank\">\"Agriculture Improvement Act of 2018\"<\/a> (PDF). U.S. Government Publishing Office. 3 January 2018<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.congress.gov\/115\/bills\/hr2\/BILLS-115hr2enr.pdf\" target=\"_blank\">https:\/\/www.congress.gov\/115\/bills\/hr2\/BILLS-115hr2enr.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Agriculture+Improvement+Act+of+2018&rft.atitle=&rft.date=3+January+2018&rft.pub=U.S.+Government+Publishing+Office&rft_id=https%3A%2F%2Fwww.congress.gov%2F115%2Fbills%2Fhr2%2FBILLS-115hr2enr.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-6\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_6-0\">6.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_6-1\">6.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Johnson-Arbor, Kelly; Smolinske, Susan (1 June 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520\" target=\"_blank\">\"The current state of delta-8 THC\"<\/a> (in en). <i>The American Journal of Emergency Medicine<\/i> <b>56<\/b>: 259\u2013261. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.ajem.2021.06.066\" target=\"_blank\">10.1016\/j.ajem.2021.06.066<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+current+state+of+delta-8+THC&rft.jtitle=The+American+Journal+of+Emergency+Medicine&rft.aulast=Johnson-Arbor&rft.aufirst=Kelly&rft.au=Johnson-Arbor%2C%26%2332%3BKelly&rft.au=Smolinske%2C%26%2332%3BSusan&rft.date=1+June+2022&rft.volume=56&rft.pages=259%E2%80%93261&rft_id=info:doi\/10.1016%2Fj.ajem.2021.06.066&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0735675721005520&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-7\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-7\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kruger, Jessica S.; Kruger, Daniel J. (1 December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jcannabisresearch.biomedcentral.com\/articles\/10.1186\/s42238-021-00115-8\" target=\"_blank\">\"Delta-8-THC: Delta-9-THC\u2019s nicer younger sibling?\"<\/a> (in en). <i>Journal of Cannabis Research<\/i> <b>4<\/b> (1): 4. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs42238-021-00115-8\" target=\"_blank\">10.1186\/s42238-021-00115-8<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2522-5782\" target=\"_blank\">2522-5782<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8725316\/\" target=\"_blank\">PMC8725316<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34980292\" target=\"_blank\">34980292<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jcannabisresearch.biomedcentral.com\/articles\/10.1186\/s42238-021-00115-8\" target=\"_blank\">https:\/\/jcannabisresearch.biomedcentral.com\/articles\/10.1186\/s42238-021-00115-8<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Delta-8-THC%3A+Delta-9-THC%E2%80%99s+nicer+younger+sibling%3F&rft.jtitle=Journal+of+Cannabis+Research&rft.aulast=Kruger&rft.aufirst=Jessica+S.&rft.au=Kruger%2C%26%2332%3BJessica+S.&rft.au=Kruger%2C%26%2332%3BDaniel+J.&rft.date=1+December+2022&rft.volume=4&rft.issue=1&rft.pages=4&rft_id=info:doi\/10.1186%2Fs42238-021-00115-8&rft.issn=2522-5782&rft_id=info:pmc\/PMC8725316&rft_id=info:pmid\/34980292&rft_id=https%3A%2F%2Fjcannabisresearch.biomedcentral.com%2Farticles%2F10.1186%2Fs42238-021-00115-8&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-8\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_8-0\">8.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_8-1\">8.1<\/a><\/sup> <sup><a href=\"#cite_ref-:2_8-2\">8.2<\/a><\/sup> <sup><a href=\"#cite_ref-:2_8-3\">8.3<\/a><\/sup> <sup><a href=\"#cite_ref-:2_8-4\">8.4<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Tagen, Michael; Klumpers, Linda E. (1 August 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bpspubs.onlinelibrary.wiley.com\/doi\/10.1111\/bph.15865\" target=\"_blank\">\"Review of delta\u20108\u2010tetrahydrocannabinol (\u0394 8 \u2010THC): Comparative pharmacology with \u0394 9 \u2010THC\"<\/a> (in en). <i>British Journal of Pharmacology<\/i> <b>179<\/b> (15): 3915\u20133933. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Fbph.15865\" target=\"_blank\">10.1111\/bph.15865<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0007-1188\" target=\"_blank\">0007-1188<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bpspubs.onlinelibrary.wiley.com\/doi\/10.1111\/bph.15865\" target=\"_blank\">https:\/\/bpspubs.onlinelibrary.wiley.com\/doi\/10.1111\/bph.15865<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Review+of+delta%E2%80%908%E2%80%90tetrahydrocannabinol+%28%CE%94+8+%E2%80%90THC%29%3A+Comparative+pharmacology+with+%CE%94+9+%E2%80%90THC&rft.jtitle=British+Journal+of+Pharmacology&rft.aulast=Tagen&rft.aufirst=Michael&rft.au=Tagen%2C%26%2332%3BMichael&rft.au=Klumpers%2C%26%2332%3BLinda+E.&rft.date=1+August+2022&rft.volume=179&rft.issue=15&rft.pages=3915%E2%80%933933&rft_id=info:doi\/10.1111%2Fbph.15865&rft.issn=0007-1188&rft_id=https%3A%2F%2Fbpspubs.onlinelibrary.wiley.com%2Fdoi%2F10.1111%2Fbph.15865&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-9\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-9\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Casati, Sara; Rota, Paola; Bergamaschi, Roberta F.; Palmisano, Erika; La Rocca, Paolo; Ravelli, Alessandro; Angeli, Ilaria; Minoli, Mauro <i>et al.<\/i> (23 November 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2022.0253\" target=\"_blank\">\"Hexahydrocannabinol on the Light Cannabis Market: The Latest \u201cNew\u201d Entry\"<\/a> (in en). <i>Cannabis and Cannabinoid Research<\/i>: can.2022.0253. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1089%2Fcan.2022.0253\" target=\"_blank\">10.1089\/can.2022.0253<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2578-5125\" target=\"_blank\">2578-5125<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2022.0253\" target=\"_blank\">https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2022.0253<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Hexahydrocannabinol+on+the+Light+Cannabis+Market%3A+The+Latest+%E2%80%9CNew%E2%80%9D+Entry&rft.jtitle=Cannabis+and+Cannabinoid+Research&rft.aulast=Casati&rft.aufirst=Sara&rft.au=Casati%2C%26%2332%3BSara&rft.au=Rota%2C%26%2332%3BPaola&rft.au=Bergamaschi%2C%26%2332%3BRoberta+F.&rft.au=Palmisano%2C%26%2332%3BErika&rft.au=La+Rocca%2C%26%2332%3BPaolo&rft.au=Ravelli%2C%26%2332%3BAlessandro&rft.au=Angeli%2C%26%2332%3BIlaria&rft.au=Minoli%2C%26%2332%3BMauro&rft.au=Roda%2C%26%2332%3BGabriella&rft.date=23+November+2022&rft.pages=can.2022.0253&rft_id=info:doi\/10.1089%2Fcan.2022.0253&rft.issn=2578-5125&rft_id=https%3A%2F%2Fwww.liebertpub.com%2Fdoi%2F10.1089%2Fcan.2022.0253&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-10\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_10-0\">10.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_10-1\">10.1<\/a><\/sup> <sup><a href=\"#cite_ref-:3_10-2\">10.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marzullo, Paola; Foschi, Francesca; Coppini, Davide Andrea; Fanchini, Fabiola; Magnani, Lucia; Rusconi, Selina; Luzzani, Marcello; Passarella, Daniele (23 October 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.0c00436\" target=\"_blank\">\"Cannabidiol as the Substrate in Acid-Catalyzed Intramolecular Cyclization\"<\/a> (in en). <i>Journal of Natural Products<\/i> <b>83<\/b> (10): 2894\u20132901. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.jnatprod.0c00436\" target=\"_blank\">10.1021\/acs.jnatprod.0c00436<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0163-3864\" target=\"_blank\">0163-3864<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8011986\/\" target=\"_blank\">PMC8011986<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32991167\" target=\"_blank\">32991167<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.0c00436\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.0c00436<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabidiol+as+the+Substrate+in+Acid-Catalyzed+Intramolecular+Cyclization&rft.jtitle=Journal+of+Natural+Products&rft.aulast=Marzullo&rft.aufirst=Paola&rft.au=Marzullo%2C%26%2332%3BPaola&rft.au=Foschi%2C%26%2332%3BFrancesca&rft.au=Coppini%2C%26%2332%3BDavide+Andrea&rft.au=Fanchini%2C%26%2332%3BFabiola&rft.au=Magnani%2C%26%2332%3BLucia&rft.au=Rusconi%2C%26%2332%3BSelina&rft.au=Luzzani%2C%26%2332%3BMarcello&rft.au=Passarella%2C%26%2332%3BDaniele&rft.date=23+October+2020&rft.volume=83&rft.issue=10&rft.pages=2894%E2%80%932901&rft_id=info:doi\/10.1021%2Facs.jnatprod.0c00436&rft.issn=0163-3864&rft_id=info:pmc\/PMC8011986&rft_id=info:pmid\/32991167&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jnatprod.0c00436&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-11\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_11-0\">11.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_11-1\">11.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Colorado Department of Public Health & Environment (14 May 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.denvergov.org\/files\/assets\/public\/v\/1\/public-health-and-environment\/documents\/phi\/dehs_mfdfd_industrialhemp_delta8_notice_cdphe_logo_051421.pdf\" target=\"_blank\">\"Re: Production and\/or Use of Chemically Modified or Converted Industrial Hemp Cannabinoids\"<\/a> (PDF). Colorado Department of Public Health & Environment<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.denvergov.org\/files\/assets\/public\/v\/1\/public-health-and-environment\/documents\/phi\/dehs_mfdfd_industrialhemp_delta8_notice_cdphe_logo_051421.pdf\" target=\"_blank\">https:\/\/www.denvergov.org\/files\/assets\/public\/v\/1\/public-health-and-environment\/documents\/phi\/dehs_mfdfd_industrialhemp_delta8_notice_cdphe_logo_051421.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Re%3A+Production+and%2For+Use+of+Chemically+Modified+or+Converted+Industrial+Hemp+Cannabinoids&rft.atitle=&rft.aulast=Colorado+Department+of+Public+Health+%26+Environment&rft.au=Colorado+Department+of+Public+Health+%26+Environment&rft.date=14+May+2021&rft.pub=Colorado+Department+of+Public+Health+%26+Environment&rft_id=https%3A%2F%2Fwww.denvergov.org%2Ffiles%2Fassets%2Fpublic%2Fv%2F1%2Fpublic-health-and-environment%2Fdocuments%2Fphi%2Fdehs_mfdfd_industrialhemp_delta8_notice_cdphe_logo_051421.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-12\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_12-0\">12.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_12-1\">12.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">Massachusetts Department of Agriculture (2023). <a rel=\"nofollow\" class=\"external text\" href=\"#-is-it-legal-to-manufacture-delta-8-thc-from-hemp\">\"Hemp in Massachusetts: FAQs\"<\/a>. Commonwealth of Massachusetts<span class=\"printonly\">. <a rel=\"nofollow\" class=\"external free\" href=\"#-is-it-legal-to-manufacture-delta-8-thc-from-hemp\">https:\/\/www.mass.gov\/guides\/hemp-in-massachusetts-faqs#-is-it-legal-to-manufacture-delta-8-thc-from-hemp<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 17 June 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Hemp+in+Massachusetts%3A+FAQs&rft.atitle=&rft.aulast=Massachusetts+Department+of+Agriculture&rft.au=Massachusetts+Department+of+Agriculture&rft.date=2023&rft.pub=Commonwealth+of+Massachusetts&rft_id=https%3A%2F%2Fwww.mass.gov%2Fguides%2Fhemp-in-massachusetts-faqs%23-is-it-legal-to-manufacture-delta-8-thc-from-hemp&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Brangham, W. (1 August 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.pbs.org\/newshour\/nation\/edible-marijuana-rules-tightened-colorado\" target=\"_blank\">\"Edible marijuana rules tightened in Colorado\"<\/a>. <i>PBS News Hour<\/i>. NewsHour Productions, LLC<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.pbs.org\/newshour\/nation\/edible-marijuana-rules-tightened-colorado\" target=\"_blank\">https:\/\/www.pbs.org\/newshour\/nation\/edible-marijuana-rules-tightened-colorado<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Edible+marijuana+rules+tightened+in+Colorado&rft.atitle=PBS+News+Hour&rft.aulast=Brangham%2C+W.&rft.au=Brangham%2C+W.&rft.date=1+August+2014&rft.pub=NewsHour+Productions%2C+LLC&rft_id=https%3A%2F%2Fwww.pbs.org%2Fnewshour%2Fnation%2Fedible-marijuana-rules-tightened-colorado&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-14\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-14\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Romine, S. (8 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.usatoday.com\/story\/sponsor-story\/higher-elevation\/2019\/07\/08\/before-you-buy-cannabis-brush-up-california-laws-and-safety-precautions\/1672816001\/\" target=\"_blank\">\"Before you buy cannabis, brush up on California laws and safety precautions\"<\/a>. <i>USA Today<\/i>. Gannett Satellite Information Network, LLC<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.usatoday.com\/story\/sponsor-story\/higher-elevation\/2019\/07\/08\/before-you-buy-cannabis-brush-up-california-laws-and-safety-precautions\/1672816001\/\" target=\"_blank\">https:\/\/www.usatoday.com\/story\/sponsor-story\/higher-elevation\/2019\/07\/08\/before-you-buy-cannabis-brush-up-california-laws-and-safety-precautions\/1672816001\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Before+you+buy+cannabis%2C+brush+up+on+California+laws+and+safety+precautions&rft.atitle=USA+Today&rft.aulast=Romine%2C+S.&rft.au=Romine%2C+S.&rft.date=8+July+2019&rft.pub=Gannett+Satellite+Information+Network%2C+LLC&rft_id=https%3A%2F%2Fwww.usatoday.com%2Fstory%2Fsponsor-story%2Fhigher-elevation%2F2019%2F07%2F08%2Fbefore-you-buy-cannabis-brush-up-california-laws-and-safety-precautions%2F1672816001%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Department of Cannabis Control (September 2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/cannabis.ca.gov\/wp-content\/uploads\/sites\/2\/2023\/09\/dcc_commercial_cannabis_regulations-1.pdf\" target=\"_blank\">\"Medicinal and Adult-Use Commercial Cannabis Regulations\"<\/a> (PDF). State of California<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/cannabis.ca.gov\/wp-content\/uploads\/sites\/2\/2023\/09\/dcc_commercial_cannabis_regulations-1.pdf\" target=\"_blank\">https:\/\/cannabis.ca.gov\/wp-content\/uploads\/sites\/2\/2023\/09\/dcc_commercial_cannabis_regulations-1.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Medicinal+and+Adult-Use+Commercial+Cannabis+Regulations&rft.atitle=&rft.aulast=Department+of+Cannabis+Control&rft.au=Department+of+Cannabis+Control&rft.date=September+2023&rft.pub=State+of+California&rft_id=https%3A%2F%2Fcannabis.ca.gov%2Fwp-content%2Fuploads%2Fsites%2F2%2F2023%2F09%2Fdcc_commercial_cannabis_regulations-1.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-16\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-16\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">U.S. Hemp Roundtable (30 April 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/hempsupporter.com\/news\/delta-8\/\" target=\"_blank\">\"Delta-8 THC Sales Across The States\"<\/a>. <i>HempSupporter.com<\/i>. U.S Hemp Roundtable, Inc<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/hempsupporter.com\/news\/delta-8\/\" target=\"_blank\">https:\/\/hempsupporter.com\/news\/delta-8\/<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 17 June 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Delta-8+THC+Sales+Across+The+States&rft.atitle=HempSupporter.com&rft.aulast=U.S.+Hemp+Roundtable&rft.au=U.S.+Hemp+Roundtable&rft.date=30+April+2021&rft.pub=U.S+Hemp+Roundtable%2C+Inc&rft_id=https%3A%2F%2Fhempsupporter.com%2Fnews%2Fdelta-8%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-17\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-17\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Swider, J.; Marelius, D. (December 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/infinitecal.com\/wp-content\/uploads\/2022\/12\/InfiniteCAL-Certificate-of-Methodology-2022.pdf\" target=\"_blank\">\"InfiniteCAL Certificate of Methodology\"<\/a> (PDF). Infinite Chemical Analysis Labs, LLC<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/infinitecal.com\/wp-content\/uploads\/2022\/12\/InfiniteCAL-Certificate-of-Methodology-2022.pdf\" target=\"_blank\">https:\/\/infinitecal.com\/wp-content\/uploads\/2022\/12\/InfiniteCAL-Certificate-of-Methodology-2022.pdf<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=InfiniteCAL+Certificate+of+Methodology&rft.atitle=&rft.aulast=Swider%2C+J.%3B+Marelius%2C+D.&rft.au=Swider%2C+J.%3B+Marelius%2C+D.&rft.date=December+2022&rft.pub=Infinite+Chemical+Analysis+Labs%2C+LLC&rft_id=https%3A%2F%2Finfinitecal.com%2Fwp-content%2Fuploads%2F2022%2F12%2FInfiniteCAL-Certificate-of-Methodology-2022.pdf&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-18\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_18-0\">18.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_18-1\">18.1<\/a><\/sup> <sup><a href=\"#cite_ref-:6_18-2\">18.2<\/a><\/sup> <sup><a href=\"#cite_ref-:6_18-3\">18.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Schafroth, Michael A.; Mazzoccanti, Giulia; Reynoso-Moreno, Ines; Erni, Reto; Pollastro, Federica; Caprioglio, Diego; Botta, Bruno; Allegrone, Gianna <i>et al.<\/i> (24 September 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.1c00513\" target=\"_blank\">\"\u0394 9 - cis -Tetrahydrocannabinol: Natural Occurrence, Chirality, and Pharmacology\"<\/a> (in en). <i>Journal of Natural Products<\/i> <b>84<\/b> (9): 2502\u20132510. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.jnatprod.1c00513\" target=\"_blank\">10.1021\/acs.jnatprod.1c00513<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0163-3864\" target=\"_blank\">0163-3864<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.1c00513\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jnatprod.1c00513<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=%CE%94+9+-+cis+-Tetrahydrocannabinol%3A+Natural+Occurrence%2C+Chirality%2C+and+Pharmacology&rft.jtitle=Journal+of+Natural+Products&rft.aulast=Schafroth&rft.aufirst=Michael+A.&rft.au=Schafroth%2C%26%2332%3BMichael+A.&rft.au=Mazzoccanti%2C%26%2332%3BGiulia&rft.au=Reynoso-Moreno%2C%26%2332%3BInes&rft.au=Erni%2C%26%2332%3BReto&rft.au=Pollastro%2C%26%2332%3BFederica&rft.au=Caprioglio%2C%26%2332%3BDiego&rft.au=Botta%2C%26%2332%3BBruno&rft.au=Allegrone%2C%26%2332%3BGianna&rft.au=Grassi%2C%26%2332%3BGiulio&rft.date=24+September+2021&rft.volume=84&rft.issue=9&rft.pages=2502%E2%80%932510&rft_id=info:doi\/10.1021%2Facs.jnatprod.1c00513&rft.issn=0163-3864&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jnatprod.1c00513&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-19\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-19\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Taura, Futoshi; Sirikantaramas, Supaart; Shoyama, Yoshinari; Shoyama, Yukihiro; Morimoto, Satoshi (1 August 2007). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cbdv.200790145\" target=\"_blank\">\"Phytocannabinoids in Cannabis sativa : Recent Studies on Biosynthetic Enzymes\"<\/a> (in en). <i>Chemistry & Biodiversity<\/i> <b>4<\/b> (8): 1649\u20131663. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fcbdv.200790145\" target=\"_blank\">10.1002\/cbdv.200790145<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1612-1872\" target=\"_blank\">1612-1872<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cbdv.200790145\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cbdv.200790145<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Phytocannabinoids+in+Cannabis+sativa+%3A+Recent+Studies+on+Biosynthetic+Enzymes&rft.jtitle=Chemistry+%26+Biodiversity&rft.aulast=Taura&rft.aufirst=Futoshi&rft.au=Taura%2C%26%2332%3BFutoshi&rft.au=Sirikantaramas%2C%26%2332%3BSupaart&rft.au=Shoyama%2C%26%2332%3BYoshinari&rft.au=Shoyama%2C%26%2332%3BYukihiro&rft.au=Morimoto%2C%26%2332%3BSatoshi&rft.date=1+August+2007&rft.volume=4&rft.issue=8&rft.pages=1649%E2%80%931663&rft_id=info:doi\/10.1002%2Fcbdv.200790145&rft.issn=1612-1872&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fcbdv.200790145&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-20\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-20\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Golombek, Patricia; M\u00fcller, Marco; Barthlott, Ines; Sproll, Constanze; Lachenmeier, Dirk W. (3 June 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2305-6304\/8\/2\/41\" target=\"_blank\">\"Conversion of Cannabidiol (CBD) into Psychotropic Cannabinoids Including Tetrahydrocannabinol (THC): A Controversy in the Scientific Literature\"<\/a> (in en). <i>Toxics<\/i> <b>8<\/b> (2): 41. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Ftoxics8020041\" target=\"_blank\">10.3390\/toxics8020041<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2305-6304\" target=\"_blank\">2305-6304<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7357058\/\" target=\"_blank\">PMC7357058<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32503116\" target=\"_blank\">32503116<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2305-6304\/8\/2\/41\" target=\"_blank\">https:\/\/www.mdpi.com\/2305-6304\/8\/2\/41<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Conversion+of+Cannabidiol+%28CBD%29+into+Psychotropic+Cannabinoids+Including+Tetrahydrocannabinol+%28THC%29%3A+A+Controversy+in+the+Scientific+Literature&rft.jtitle=Toxics&rft.aulast=Golombek&rft.aufirst=Patricia&rft.au=Golombek%2C%26%2332%3BPatricia&rft.au=M%C3%BCller%2C%26%2332%3BMarco&rft.au=Barthlott%2C%26%2332%3BInes&rft.au=Sproll%2C%26%2332%3BConstanze&rft.au=Lachenmeier%2C%26%2332%3BDirk+W.&rft.date=3+June+2020&rft.volume=8&rft.issue=2&rft.pages=41&rft_id=info:doi\/10.3390%2Ftoxics8020041&rft.issn=2305-6304&rft_id=info:pmc\/PMC7357058&rft_id=info:pmid\/32503116&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2305-6304%2F8%2F2%2F41&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Glivar, Taja; Er\u017een, Jan; Kreft, Samo; Zago\u017een, Marjeta; \u010cerenak, Andreja; \u010ceh, Barbara; Tav\u010dar Benkovi\u0107, Eva (1 March 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0926669019310921\" target=\"_blank\">\"Cannabinoid content in industrial hemp (Cannabis sativa L.) varieties grown in Slovenia\"<\/a> (in en). <i>Industrial Crops and Products<\/i> <b>145<\/b>: 112082. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.indcrop.2019.112082\" target=\"_blank\">10.1016\/j.indcrop.2019.112082<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0926669019310921\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0926669019310921<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabinoid+content+in+industrial+hemp+%28Cannabis+sativa+L.%29+varieties+grown+in+Slovenia&rft.jtitle=Industrial+Crops+and+Products&rft.aulast=Glivar&rft.aufirst=Taja&rft.au=Glivar%2C%26%2332%3BTaja&rft.au=Er%C5%BEen%2C%26%2332%3BJan&rft.au=Kreft%2C%26%2332%3BSamo&rft.au=Zago%C5%BEen%2C%26%2332%3BMarjeta&rft.au=%C4%8Cerenak%2C%26%2332%3BAndreja&rft.au=%C4%8Ceh%2C%26%2332%3BBarbara&rft.au=Tav%C4%8Dar+Benkovi%C4%87%2C%26%2332%3BEva&rft.date=1+March+2020&rft.volume=145&rft.pages=112082&rft_id=info:doi\/10.1016%2Fj.indcrop.2019.112082&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0926669019310921&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-22\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-22\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Johnson, Matthew S.; Wallace, Jason G. (7 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.frontiersin.org\/articles\/10.3389\/fgene.2021.682475\/full\" target=\"_blank\">\"Genomic and Chemical Diversity of Commercially Available High-CBD Industrial Hemp Accessions\"<\/a>. <i>Frontiers in Genetics<\/i> <b>12<\/b>: 682475. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3389%2Ffgene.2021.682475\" target=\"_blank\">10.3389\/fgene.2021.682475<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1664-8021\" target=\"_blank\">1664-8021<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8293613\/\" target=\"_blank\">PMC8293613<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34306025\" target=\"_blank\">34306025<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.frontiersin.org\/articles\/10.3389\/fgene.2021.682475\/full\" target=\"_blank\">https:\/\/www.frontiersin.org\/articles\/10.3389\/fgene.2021.682475\/full<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Genomic+and+Chemical+Diversity+of+Commercially+Available+High-CBD+Industrial+Hemp+Accessions&rft.jtitle=Frontiers+in+Genetics&rft.aulast=Johnson&rft.aufirst=Matthew+S.&rft.au=Johnson%2C%26%2332%3BMatthew+S.&rft.au=Wallace%2C%26%2332%3BJason+G.&rft.date=7+July+2021&rft.volume=12&rft.pages=682475&rft_id=info:doi\/10.3389%2Ffgene.2021.682475&rft.issn=1664-8021&rft_id=info:pmc\/PMC8293613&rft_id=info:pmid\/34306025&rft_id=https%3A%2F%2Fwww.frontiersin.org%2Farticles%2F10.3389%2Ffgene.2021.682475%2Ffull&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-23\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-23\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Radwan, Mohamed M.; Chandra, Suman; Gul, Shahbaz; ElSohly, Mahmoud A. (8 May 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/1420-3049\/26\/9\/2774\" target=\"_blank\">\"Cannabinoids, Phenolics, Terpenes and Alkaloids of Cannabis\"<\/a> (in en). <i>Molecules<\/i> <b>26<\/b> (9): 2774. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fmolecules26092774\" target=\"_blank\">10.3390\/molecules26092774<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1420-3049\" target=\"_blank\">1420-3049<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC8125862\/\" target=\"_blank\">PMC8125862<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34066753\" target=\"_blank\">34066753<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/1420-3049\/26\/9\/2774\" target=\"_blank\">https:\/\/www.mdpi.com\/1420-3049\/26\/9\/2774<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabinoids%2C+Phenolics%2C+Terpenes+and+Alkaloids+of+Cannabis&rft.jtitle=Molecules&rft.aulast=Radwan&rft.aufirst=Mohamed+M.&rft.au=Radwan%2C%26%2332%3BMohamed+M.&rft.au=Chandra%2C%26%2332%3BSuman&rft.au=Gul%2C%26%2332%3BShahbaz&rft.au=ElSohly%2C%26%2332%3BMahmoud+A.&rft.date=8+May+2021&rft.volume=26&rft.issue=9&rft.pages=2774&rft_id=info:doi\/10.3390%2Fmolecules26092774&rft.issn=1420-3049&rft_id=info:pmc\/PMC8125862&rft_id=info:pmid\/34066753&rft_id=https%3A%2F%2Fwww.mdpi.com%2F1420-3049%2F26%2F9%2F2774&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:8-24\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:8_24-0\">24.0<\/a><\/sup> <sup><a href=\"#cite_ref-:8_24-1\">24.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Williams, Rebecca S.; Phillips-Weiner, K. Jean; Vincus, Amy A. (1 March 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.ingentaconnect.com\/content\/10.18001\/TRS.6.2.6\" target=\"_blank\">\"Age Verification and Online Sales of Little Cigars and Cigarillos to Minors\"<\/a> (in en). <i>Tobacco Regulatory Science<\/i> <b>6<\/b> (2): 152\u2013163. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.18001%2FTRS.6.2.6\" target=\"_blank\">10.18001\/TRS.6.2.6<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2333-9748\" target=\"_blank\">2333-9748<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7416878\/\" target=\"_blank\">PMC7416878<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32789154\" target=\"_blank\">32789154<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ingentaconnect.com\/content\/10.18001\/TRS.6.2.6\" target=\"_blank\">https:\/\/www.ingentaconnect.com\/content\/10.18001\/TRS.6.2.6<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Age+Verification+and+Online+Sales+of+Little+Cigars+and+Cigarillos+to+Minors&rft.jtitle=Tobacco+Regulatory+Science&rft.aulast=Williams&rft.aufirst=Rebecca+S.&rft.au=Williams%2C%26%2332%3BRebecca+S.&rft.au=Phillips-Weiner%2C%26%2332%3BK.+Jean&rft.au=Vincus%2C%26%2332%3BAmy+A.&rft.date=1+March+2020&rft.volume=6&rft.issue=2&rft.pages=152%E2%80%93163&rft_id=info:doi\/10.18001%2FTRS.6.2.6&rft.issn=2333-9748&rft_id=info:pmc\/PMC7416878&rft_id=info:pmid\/32789154&rft_id=https%3A%2F%2Fwww.ingentaconnect.com%2Fcontent%2F10.18001%2FTRS.6.2.6&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-25\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-25\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFBakshiPatel2023\">Bakshi, Arjun; Patel, Preeti (2023), <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/books\/NBK572141\/\" target=\"_blank\">\"Poison Prevention Packaging Act\"<\/a>, <i>StatPearls<\/i> (Treasure Island (FL): StatPearls Publishing), <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34283507\" target=\"_blank\">34283507<\/a><span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/books\/NBK572141\/\" target=\"_blank\">http:\/\/www.ncbi.nlm.nih.gov\/books\/NBK572141\/<\/a><\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Poison+Prevention+Packaging+Act&rft.jtitle=StatPearls&rft.aulast=Bakshi&rft.aufirst=Arjun&rft.au=Bakshi%2C%26%2332%3BArjun&rft.au=Patel%2C%26%2332%3BPreeti&rft.date=2023&rft.place=Treasure+Island+%28FL%29&rft.pub=StatPearls+Publishing&rft_id=info:pmid\/34283507&rft_id=http%3A%2F%2Fwww.ncbi.nlm.nih.gov%2Fbooks%2FNBK572141%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:9-26\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:9_26-0\">26.0<\/a><\/sup> <sup><a href=\"#cite_ref-:9_26-1\">26.1<\/a><\/sup> <sup><a href=\"#cite_ref-:9_26-2\">26.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation web\">California Department of Cannabis Control (2023). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/cannabis.ca.gov\/licensees\/requirements-cannabis-goods\/\" target=\"_blank\">\"Requirements for cannabis goods\"<\/a>. State of California<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/cannabis.ca.gov\/licensees\/requirements-cannabis-goods\/\" target=\"_blank\">https:\/\/cannabis.ca.gov\/licensees\/requirements-cannabis-goods\/<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Requirements+for+cannabis+goods&rft.atitle=&rft.aulast=California+Department+of+Cannabis+Control&rft.au=California+Department+of+Cannabis+Control&rft.date=2023&rft.pub=State+of+California&rft_id=https%3A%2F%2Fcannabis.ca.gov%2Flicensees%2Frequirements-cannabis-goods%2F&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-27\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-27\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">D\u2019Souza, Deepak Cyril; Sewell, Richard Andrew; Ranganathan, Mohini (1 October 2009). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s00406-009-0024-2\" target=\"_blank\">\"Cannabis and psychosis\/schizophrenia: human studies\"<\/a> (in en). <i>European Archives of Psychiatry and Clinical Neuroscience<\/i> <b>259<\/b> (7): 413\u2013431. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00406-009-0024-2\" target=\"_blank\">10.1007\/s00406-009-0024-2<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0940-1334\" target=\"_blank\">0940-1334<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC2864503\/\" target=\"_blank\">PMC2864503<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/19609589\" target=\"_blank\">19609589<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s00406-009-0024-2\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s00406-009-0024-2<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabis+and+psychosis%2Fschizophrenia%3A+human+studies&rft.jtitle=European+Archives+of+Psychiatry+and+Clinical+Neuroscience&rft.aulast=D%E2%80%99Souza&rft.aufirst=Deepak+Cyril&rft.au=D%E2%80%99Souza%2C%26%2332%3BDeepak+Cyril&rft.au=Sewell%2C%26%2332%3BRichard+Andrew&rft.au=Ranganathan%2C%26%2332%3BMohini&rft.date=1+October+2009&rft.volume=259&rft.issue=7&rft.pages=413%E2%80%93431&rft_id=info:doi\/10.1007%2Fs00406-009-0024-2&rft.issn=0940-1334&rft_id=info:pmc\/PMC2864503&rft_id=info:pmid\/19609589&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs00406-009-0024-2&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-28\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-28\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kruger, Daniel J.; Korach, Natalie J.; Kruger, Jessica S. (1 April 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2020.0079\" target=\"_blank\">\"Requirements for Cannabis Product Labeling by U.S. State\"<\/a> (in en). <i>Cannabis and Cannabinoid Research<\/i> <b>7<\/b> (2): 156\u2013160. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1089%2Fcan.2020.0079\" target=\"_blank\">10.1089\/can.2020.0079<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2578-5125\" target=\"_blank\">2578-5125<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC9070747\/\" target=\"_blank\">PMC9070747<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33998880\" target=\"_blank\">33998880<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2020.0079\" target=\"_blank\">https:\/\/www.liebertpub.com\/doi\/10.1089\/can.2020.0079<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Requirements+for+Cannabis+Product+Labeling+by+U.S.+State&rft.jtitle=Cannabis+and+Cannabinoid+Research&rft.aulast=Kruger&rft.aufirst=Daniel+J.&rft.au=Kruger%2C%26%2332%3BDaniel+J.&rft.au=Korach%2C%26%2332%3BNatalie+J.&rft.au=Kruger%2C%26%2332%3BJessica+S.&rft.date=1+April+2022&rft.volume=7&rft.issue=2&rft.pages=156%E2%80%93160&rft_id=info:doi\/10.1089%2Fcan.2020.0079&rft.issn=2578-5125&rft_id=info:pmc\/PMC9070747&rft_id=info:pmid\/33998880&rft_id=https%3A%2F%2Fwww.liebertpub.com%2Fdoi%2F10.1089%2Fcan.2020.0079&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-29\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-29\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFAkingbasoteSzlapinskiCharretteHilmas2022\">Akingbasote, James; Szlapinski, Sandra; Charrette, Andrew; Hilmas, Corey J.; Guthrie, Najla (2022), <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780323897730000242\" target=\"_blank\">\"Safety of cannabis- and hemp-derived constituents in reproduction and development\"<\/a> (in en), <i>Reproductive and Developmental Toxicology<\/i> (Elsevier): 455\u2013487, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fb978-0-323-89773-0.00024-2\" target=\"_blank\">10.1016\/b978-0-323-89773-0.00024-2<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-323-89773-0<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780323897730000242\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/B9780323897730000242<\/a><\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Safety+of+cannabis-+and+hemp-derived+constituents+in+reproduction+and+development&rft.jtitle=Reproductive+and+Developmental+Toxicology&rft.aulast=Akingbasote&rft.aufirst=James&rft.au=Akingbasote%2C%26%2332%3BJames&rft.au=Szlapinski%2C%26%2332%3BSandra&rft.au=Charrette%2C%26%2332%3BAndrew&rft.au=Hilmas%2C%26%2332%3BCorey+J.&rft.au=Guthrie%2C%26%2332%3BNajla&rft.date=2022&rft.pages=455%E2%80%93487&rft.pub=Elsevier&rft_id=info:doi\/10.1016%2Fb978-0-323-89773-0.00024-2&rft.isbn=978-0-323-89773-0&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FB9780323897730000242&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-30\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-30\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">U.S. Food and Drug Administration (16 June 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.fda.gov\/food\/alerts-advisories-safety-information\/fda-warns-consumers-about-accidental-ingestion-children-food-products-containing-thc\" target=\"_blank\">\"FDA Warns Consumers About the Accidental Ingestion by Children of Food Products Containing THC\"<\/a>. U.S. Food and Drug Administration<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.fda.gov\/food\/alerts-advisories-safety-information\/fda-warns-consumers-about-accidental-ingestion-children-food-products-containing-thc\" target=\"_blank\">https:\/\/www.fda.gov\/food\/alerts-advisories-safety-information\/fda-warns-consumers-about-accidental-ingestion-children-food-products-containing-thc<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=FDA+Warns+Consumers+About+the+Accidental+Ingestion+by+Children+of+Food+Products+Containing+THC&rft.atitle=&rft.aulast=U.S.+Food+and+Drug+Administration&rft.au=U.S.+Food+and+Drug+Administration&rft.date=16+June+2022&rft.pub=U.S.+Food+and+Drug+Administration&rft_id=https%3A%2F%2Fwww.fda.gov%2Ffood%2Falerts-advisories-safety-information%2Ffda-warns-consumers-about-accidental-ingestion-children-food-products-containing-thc&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-31\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-31\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Feldman, B.J. (8 July 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/mgaleg.maryland.gov\/mgawebsite\/Legislation\/Details\/SB0788?ys=2022rs\" target=\"_blank\">\"Cannabis - Regulation - Delta-8- and Delta-10-Tetrahydrocannabinol\"<\/a>. Maryland General Assembly<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/mgaleg.maryland.gov\/mgawebsite\/Legislation\/Details\/SB0788?ys=2022rs\" target=\"_blank\">https:\/\/mgaleg.maryland.gov\/mgawebsite\/Legislation\/Details\/SB0788?ys=2022rs<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Cannabis+-+Regulation+-+Delta-8-+and+Delta-10-Tetrahydrocannabinol&rft.atitle=&rft.aulast=Feldman%2C+B.J.&rft.au=Feldman%2C+B.J.&rft.date=8+July+2022&rft.pub=Maryland+General+Assembly&rft_id=https%3A%2F%2Fmgaleg.maryland.gov%2Fmgawebsite%2FLegislation%2FDetails%2FSB0788%3Fys%3D2022rs&rfr_id=info:sid\/en.wikipedia.org:Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. Some grammar and punctuation was cleaned up to improve readability. In some cases important information was missing from the references, and that information was added. Several URLs listed in the original were broken; presumed-correct URLs were discovered and used for this version.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104150403\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 0.890 seconds\nReal time usage: 1.064 seconds\nPreprocessor visited node count: 30435\/1000000\nPost\u2010expand include size: 257754\/2097152 bytes\nTemplate argument size: 83027\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 72984\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 665.180 1 -total\n 86.13% 572.925 1 Template:Reflist\n 68.02% 452.440 31 Template:Citation\/core\n 46.35% 308.300 16 Template:Cite_journal\n 20.98% 139.542 12 Template:Cite_web\n 13.03% 86.657 31 Template:Date\n 8.86% 58.915 53 Template:Citation\/identifier\n 7.17% 47.685 1 Template:Infobox_journal_article\n 6.23% 41.418 1 Template:Infobox\n 6.05% 40.223 2 Template:Citation\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14635-0!canonical and timestamp 20240104150402 and revision id 55372. Serialized with JSON.\n -->\n<\/div><\/div><div class=\"printfooter\">Source: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem\">https:\/\/www.limswiki.org\/index.php\/Journal:Potency_and_safety_analysis_of_hemp-derived_delta-9_products:_The_hemp_vs._cannabis_demarcation_problem<\/a><\/div>\n<!-- end content --><div class=\"visualClear\"><\/div><\/div><\/div><div class=\"visualClear\"><\/div><\/div><!-- end of the left (by default at least) column --><div class=\"visualClear\"><\/div><\/div>\n\n\n\n<\/body>","0e82f04e7dc7215ba850cc74a3ed9e5c_images":["https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/d\/dc\/Fig1_Johnson_JofCannRes23_5.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/3\/33\/Fig2_Johnson_JofCannRes23_5.png","https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/b\/bd\/Fig3_Johnson_JofCannRes23_5.png"],"0e82f04e7dc7215ba850cc74a3ed9e5c_timestamp":1704389295,"35a71b50248b6ac20ff9f8080b3999e9_type":"article","35a71b50248b6ac20ff9f8080b3999e9_title":"A metabolomics and big data approach to cannabis authenticity (authentomics) (Jadhav et al. 2023)","35a71b50248b6ac20ff9f8080b3999e9_url":"https:\/\/www.limswiki.org\/index.php\/Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)","35a71b50248b6ac20ff9f8080b3999e9_plaintext":"\n\nJournal:A metabolomics and big data approach to cannabis authenticity (authentomics)From LIMSWikiJump to navigationJump to searchFull article title\n \nA metabolomics and big data approach to cannabis authenticity (authentomics)Journal\n \nInternational Journal of Molecular SciencesAuthor(s)\n \nJadhav, Pramodkumar D.; Shim, Youn Y.; Paek, Ock J.; Jeon, Jung-Tae; Park, Hyun-Je; Park, Ilbum; Park, Eui-Seong; Kim, Young J.; Reaney, Martin J.T.Author affiliation(s)\n \nUniversity of Saskatchewan, Prairie Tide Diversified, Korea University, Republic of Korea Ministry of Food and Drug Safety, Yuhan Care CompanyPrimary contact\n \nEmail: younyoung dot shim at usask dot caYear published\n \n2023Volume and issue\n \n24(9)Article #\n \n8202DOI\n \n10.3390\/ijms24098202ISSN\n \n1422-0067Distribution license\n \nCreative Commons Attribution 4.0 InternationalWebsite\n \nhttps:\/\/www.mdpi.com\/1422-0067\/24\/9\/8202Download\n \nhttps:\/\/www.mdpi.com\/1422-0067\/24\/9\/8202\/pdf?version=1683269179 (PDF)\n\nContents \n\n1 Abstract \n2 Introduction \n3 Metabolomic technologies \n\n3.1 NMR \n3.2 GC-FID\/MS \n3.3 LC-MS \n3.4 Other analytical techniques \n\n\n4 Current system and potential quality issues \n\n4.1 Current system \n\n4.1.1 Analysis for the enforcement of government regulations \n4.1.2 Industry-\/Pharmacy-\/Retail-run \n4.1.3 Consumer-led \n\n\n4.2 Law enforcement agencies \n4.3 Lack of standardized extraction and refinement methods \n4.4 Cannabinoid and terpenoid stability \n4.5 Lipid oxidation products \n4.6 Structural and stereoisomers \n4.7 Adulteration \n\n\n5 Authentomics \n\n5.1 Lessons from the food industry \n5.2 Identification\u2013Conformity\u2013Quantification \n\n5.2.1 Targeted analyses \n5.2.2 Non-targeted analysis \n\n\n5.3 Food metabolome databases \n\n\n6 Future directions \n\n6.1 Non-targeted analysis \n6.2 Standardized analytical procedures \n6.3 Experimental flow design \n6.4 Open-access structure databases \n6.5 Authentic standards \n6.6 Public-private partnership \n6.7 Markers for the standardization of herbal drugs and extracts \n6.8 Minor cannabinoids and their pharmacology \n6.9 Personalized medicine and pharmacometabolomics \n\n\n7 Conclusions \n8 Abbreviations, acronyms, and initialisms \n9 Acknowledgements \n\n9.1 Author contributions \n9.2 Funding \n9.3 Data availability statement \n9.4 Conflicts of interest \n\n\n10 References \n11 Notes \n\n\n\nAbstract \nWith the increasing accessibility of cannabis (Cannabis sativa L., also known as marijuana and hemp), its products are being developed as extracts for both recreational and therapeutic use. This has led to increased scrutiny by regulatory bodies, who aim to understand and regulate the complex chemistry of these products to ensure their safety and efficacy. Regulators use targeted analyses to track the concentration of key bioactive metabolites and potentially harmful contaminants, such as heavy metals and other impurities. However, the complexity of cannabis' metabolic pathways requires a more comprehensive approach. A non-targeted metabolomic analysis of cannabis products is necessary to generate data that can be used to determine their authenticity and efficacy. An authentomics approach, which involves combining the non-targeted analysis of new samples with big data comparisons to authenticated historic datasets, provides a robust method for verifying the quality of cannabis products. To meet International Organization for Standardization (ISO) standards, it is necessary to implement authentomics platform technology and build an integrated database of cannabis analytical results. This study is the first to review the topic of the authentomics of cannabis and its potential to meet ISO standards.\nKeywords: cannabis authenticity, Cannabis sativa L., authentomics, metabolites, nuclear magnetic resonance\n\nIntroduction \nMetabolomics is a crucial approach for gaining insight into the largest possible set of low-molecular-weight metabolites present in biological samples. When used in conjunction with genomics, transcriptomics, and proteomics, metabolomics helps shed light on the workings of biological systems as they develop and respond to environmental stimuli.\nMetabolomics is downstream of genomics, transcriptomics, and proteomics.[1][2] Comprehensive analysis of the metabolome is predicated on developments in analytical methods, data-handling tools, and database management systems that first generate big data sets using various chemometric techniques and subsequently use multivariate analysis for interpretation.[3] Nuclear magnetic resonance (NMR) and chromatography (gas or liquid) coupled with mass spectrometry (MS) are the most common techniques used in metabolomic analysis. \nThere are different approaches in metabolomics for the comprehensive analysis of both known and unknown metabolites. One approach, metabolic profiling, involves measuring large sets of metabolites to provide information about metabolism. Such an approach can include the characterization of both metabolites (unknown and known) and metabolic pathways. Analytical methods that focus on the repeated identification and quantification of pre-selected compounds are known as targeted approaches. On the other hand, non-targeted approaches quantify all measurable compounds, regardless of their identification. Both targeted and non-targeted methods can provide information about the concentration of known compounds, while unknown compounds can be interpreted as having relative concentrations. \nA third approach, called metabolic fingerprinting, typically generates metabolic information without precise quantification and identification. This latter approach involves the production of a pattern that is, ideally, interpretable. Fingerprinting is used in food or food product authentication, where the fingerprint pattern of the unknown sample is compared with the spectral database of known samples to determine its conformity.[4][5] Metabolic studies can also be classified based on the study objectives, such as (a) informative studies, where the metabolites\u2019 identification and quantification are obtained; (b) discriminative studies, which help to distinguish metabolites among sample populations; and (c) predictive studies, which create statistical models to create class memberships.[6]\nCannabis and its extracts are chemically complex natural mixtures with various biologically active compounds (metabolites). These compounds include phytocannabinoids, terpenoids, flavonoids, nitrogenous compounds, sugars, proteins, fatty acids, and more. (Table 1)\n\n\n\n\n\n\n\nTable 1. Chemical constituents (metabolites) of Cannabis sativa L. (flowers) by chemical class.\n\n\nChemical class\n\n1980 [7]\n\n1995 [8]\n\n2005 [9]\n\n2014 [10]\n\n2017 [11]\n\n\nCannabinoids (all)\n\n61\n\n66\n\n70\n\n104\n\n120\n\n\n   CBC\n\n4\n\n4\n\n5\n\n8\n\n9\n\n\n   CBD\n\n7\n\n7\n\n7\n\n8\n\n7\n\n\n   CBG\n\n6\n\n6\n\n7\n\n17\n\n16\n\n\n   \u03948-THC\n\n2\n\n2\n\n2\n\n2\n\n5\n\n\n   \u03949-THC\n\n9\n\n9\n\n9\n\n18\n\n23\n\n\n   CBE\n\n5\n\n5\n\n5\n\n5\n\n5\n\n\n   CBL\n\n3\n\n3\n\n3\n\n3\n\n3\n\n\n   CBN\n\n6\n\n7\n\n7\n\n10\n\n11\n\n\n   CBND\n\n2\n\n2\n\n2\n\n2\n\n2\n\n\n   CBT\n\n6\n\n9\n\n9\n\n9\n\n9\n\n\n   Miscellaneous\n\n11\n\n12\n\n14\n\n22\n\n30\n\n\nNitrogenous compounds\n\n20\n\n27\n\n27\n\n29\n\n33\n\n\nAmino acids\n\n18\n\n18\n\n18\n\n18\n\n18\n\n\nProteins, enzymes, and glycoproteins\n\n11\n\n11\n\n11\n\n11\n\n11\n\n\nSugars and related compounds\n\n34\n\n34\n\n34\n\n34\n\n34\n\n\nHydrocarbons\n\n50\n\n50\n\n50\n\n50\n\n50\n\n\nSimple alcohols\n\n7\n\n7\n\n7\n\n7\n\n7\n\n\nSimple aldehydes\n\n12\n\n12\n\n12\n\n12\n\n12\n\n\nSimple ketones\n\n13\n\n13\n\n13\n\n13\n\n13\n\n\nSimple acids\n\n20\n\n20\n\n20\n\n20\n\n20\n\n\nFatty acids\n\n12\n\n23\n\n23\n\n27\n\n27\n\n\nSimple esters and lactones\n\n13\n\n13\n\n13\n\n13\n\n13\n\n\nSteroids\n\n11\n\n11\n\n11\n\n15\n\n15\n\n\nTerpenes\n\n103\n\n120\n\n120\n\n120\n\n120\n\n\nNon-cannabinoid phenols\n\n16\n\n25\n\n25\n\n33\n\n33\n\n\nFlavonoids\n\n19\n\n21\n\n23\n\n27\n\n27\n\n\nVitamins\n\n1\n\n1\n\n1\n\n1\n\n1\n\n\nPigments\n\n2\n\n2\n\n2\n\n2\n\n2\n\n\nElements\n\n0\n\n9\n\n9\n\n9\n\n9\n\n\n\nThere were 423 compounds reported in the 1980s[7], and in 2017, the number of identified compounds increased to ~565[11], and more are being identified. The number of cannabinoids detected is now over 120.[8][9][10][11] Among these cannabinoids, psychoactive \u03949-tetrahydrocannabinol (THC) and cannabidiol (CBD) are best known for their contribution to pharmacological activity (Figure 1). These compounds are not the products of metabolic pathways but rather are produced as acidic precursors. The action of heat on these precursors induces decarboxylation and the formation of bioactive compounds. Cannabis extracts contain a range of compounds, including cannabinoids and terpenes, of which many contribute a synergistic \u201centourage effect\u201d where the therapeutic effect is greater than the sum of the individual compounds.[12] While the U.S. Food and Drug Administration (FDA)-approved drugs such as Epidiolex, Marinol, Syndros, and Cesamet have demonstrated efficacy in treating certain ailments, there is still a great deal of potential for the use of cannabinoids in treating other conditions. Current research suggests that cannabinoids may have anti-inflammatory, analgesic, and anxiolytic properties, among others. However, further clinical trials are needed to fully understand the therapeutic potential of these compounds and mixtures of compounds. Interestingly, cannabinoids bind to receptors and exert biological effects.[13] As one might expect, one class of receptors\u2014cannabinoid receptors\u2014was identified through their interaction with cannabinoids.\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 1. Chemical structures of \u03949-THC and CBD.\n\n\n\nMetabolomics analysis is useful in studies of plant responses to their environment (e.g., temperature, photoperiod, bioelicitors, fertilizers, water, atmosphere, etc.) and genotypic differences among plants. For example, metabolomics approaches can be used in developing better agronomic practices or the selection of cultivars with superior traits. Gas chromatography (GC) with a flame ionization detector (GC-FID) or mass spectrometer (GC-MS) is often used in the analysis of cannabis and cannabis extracts. However, these approaches are limited to measuring metabolites that can be made volatile. Acidic precursors of THC and CBD experience decarboxylation in the typical GC injection port. If this is not carefully controlled, the analysis will be compromised.\nAcidic cannabinoids can be stabilized and made more volatile by derivatization, especially via silylation, but the quantification can be less reliable.[14] Moreover, in the high-temperature conditions typical in a GC injector, cannabinoids can thermally oxidize or isomerize. For example, unnatural compounds produced by isomerization, \u03948-THC and cannabinol (CBN), were detected in cannabinoid extract analysis by GC. High-performance liquid chromatography (HPLC) analysis is possible for the non-destructive analysis of cannabinoids, and compounds can be resolved using a range of media, though reverse-phase columns are widely used. While GC methods typically provide better resolution than HPLC, peak overlap in HPLC can typically be overcome when an MS detector is used. When tandem mass spectrometry (MS\/MS) is applied, fragmentation patterns can serve to definitively identify cannabinoids.[14] NMR has been used in cannabis extract analysis to discriminate among cultivars and determine the impact of elicitors in cannabis cell suspension cultures. NMR has advantages over chromatographic methods, including simplified sample preparation and non-destructive analysis. These characteristics make some NMR-based analyses suitable for high-throughput analysis and more reproducible than other methods. NMR is much less sensitive than MS but can provide, with fewer sample preparation steps, robust information regarding chemical fingerprints.[15][16] NMR methods also have an additional capability that is not always possible with other methods. NMR methods can be linear over a much larger dynamic range and interference can often be managed. In MS methods, the response is based on ionization phenomena, and the ion suppression of signals is common. Quantitative MS is difficult to accomplish without sophisticated standards for each analyte.\n\nMetabolomic technologies \nMany analytical tools have been applied to extract useful metabolomic information. However, due to the chemical heterogeneity of metabolites, large differences in metabolite concentration, and interactions among metabolites, single analytical platforms may fail in determining metabolic profiles. Therefore, combinations of analytical approaches are needed to capture most of the salient information required to characterize complex mixtures of compounds. The selection of the best analytical solution is influenced by the sample matrix, metabolite concentration and properties, and sample amount. Thus, metabolomics is described as an area of science rather than an analytical approach.[17] Metabolomic technologies have been used to identify bioactive compounds in cannabis; they are summarized in Table 2 and briefly described below.\n\n\n\n\n\n\n\nTable 2. Different technologies for the identification of compounds in cannabis.\n\n\nIdentification\n\nMatrix\n\nCultivar\/Strain\n\nConditions\n\nProducts\n\nRefs\n\n\nNMR, a metabolic fingerprinting tool to identify and characterize metabolites in plant extracts\n\n\nProton nuclear magnetic resonance (H NMR)\n\nFlowers, leaves\n\nCannabis sativa L.\n\nRecorded on 400.13 MHz in CDCl3 and D2O, plant material was extracted with 50% aqueous methanol and chloroform.\n\nTHC, tetrahydrocannabinolic acid (THCA), CBD, cannabidiolic acid (CBDA), CBN\n\n[16]\n\n\nH NMR + real-time polymerase chain reaction (RT-PCR)\n\nTrichomes, flowers, leaves\n\nBedrocan, Bedica\n\nRecorded on 500.13 MHz. Fresh materials were ground to a fine powder using a pestle and a mortar under cold conditions.\n\nTHCA\n\n[18]\n\n\nH NMR\n\nFlowers, leaves, stalks\n\nCannabis sativa L.\n\nRecorded at 300 K and 400 MHz and performed in DMSO-D6 without internal standards.\n\nTotal THC or the sum of THC, THCA, and CBN\n\n[19]\n\n\nGC-FID\/MS, both metabolomic approaches to quantify and identify cannabinoids and terpenes\n\n\nGC-FID\/MS\n\nFlowers\n\nCannabis sativa L., Cannabis indica, hybrid, Bedrocan\n\nExtracted with absolute ethanol and 1-octanol.\n\nEight major neutral cannabinoids and 36 terpenes\n\n[20]\n\n\nGC-FID\/MS\n\nFlowers\n\nBedrocan, Bedropuur, Bediol\n\nPeak area variation of the internal standard 1-octanol for all cannabis samples.\n\nNine cannabinoids and 27 terpenoids\n\n[21]\n\n\nGC-MS\n\nSeeds\n\nCannabis sativa L.\n\nThe crushed seed was extracted with methanol and centrifuged with ribitol as an internal standard.\n\nTwo-hundred and thirty-six untargeted metabolites were identified.\n\n[22]\n\n\nComprehensive two-dimensional gas chromatography (GC\u00d7GC)\n\nFlowers\n\nCannabis sativa L., Cannabis indica, hybrid\n\nThe extraction of cannabis flower samples with a solvent mixture (water\/methanol\/acetone) with a stir bar coated with polydimethylsiloxane.\n\nMonoterpenes, sesquiterpenes, hydrocarbons, cannabinoids, terpenoid alcohols, and fatty acids\n\n[23]\n\n\nGC-MS\/MS\n\nFlowers\n\nMedical cannabis strain\n\nGround samples were subjected to direct measurement with a static headspace sampler, using a semi-polar stationary phase GC column.\n\nNinety-three terpenoids\n\n[24]\n\n\nGC-MS\n\nFlowers\n\nCannabis sativa L.\n\nUsed for the profiling of cannabis because of its sensitivity and ability to highlight the aromatic expression of chemovars.\n\nSixty-seven terpenes (29 monoterpenes and 38 sesquiterpenes)\n\n[25]\n\n\nLiquid chromatography\u2013mass spectrometry (LC-MS), applicable to cannabis complex mixtures, polar and non-polar compounds\n\n\nElectrospray ionization-LC\/MS (ESI-LC\/MS)\n\nFlowers\n\nMedical cannabis strain\n\nExtracted with ethanol, producing fractions.\n\nNinety-four cannabinoids\n\n[26]\n\n\nUltra-high-performance liquid chromatography (UHPLC)\n\nFlowers\n\nCannabis sativa L.\n\nExtracted with 80% ethanol.\n\nCBD and THC\n\n[27]\n\n\nLC-MS\/MS, liquid chromatography quadrupole time-of-flight (LC-QTOF)\n\nPlant\n\nCannabis sativa L.\n\nExtracted using supercritical CO2 with ethanol as a cosolvent. Atmospheric pressure chemical ionization with multiple reaction monitoring was used to quantify cannabinoids.\n\nSix major cannabinoids and seven minor cannabinoids, CBD, CBN, and THC\n\n[28]\n\n\nLiquid chromatography-high-resolution mass spectrometry (LC-HRMS\/MS)\n\nFlowers\n\nBediol\n\nAnalyzed using a non-targeted metabolomics approach. Isocratic elution with water\/MeCN 30:70 and 0.1% formic acid.\n\nCBD, CBDA, THC, THCA, CBN, and cannabigerolic acid (CBGA)\n\n[29]\n\n\nGC-TOF\/MS, LC-QTOF MS\/MS\n\nFlowers, leaves\n\nCannabis sativa L.\n\nPolar and non-polar cannabis extracts.\n\nOne-hundred and thirty-four in the non-polar extracts and 46 in the polar extracts\n\n[30]\n\n\nLC-HRMS, ultraviolet-C (UV-C) treatment\n\nLeaves\n\nCannabis sativa L.\n\nExtracted with isopropanol, filtered through SPE C18 columns, and subjected to LC-TOF\/MS analysis.\n\nNot for cannabinoid content\n\n[31]\n\n\nUHPLC\/ESI (+) and (\u2013) modes\n\nFlowers\n\nMedical cannabis strain\n\nDried cannabis was extracted with supercritical fluid at ambient temperature to obtain a native extract. The native extract was subjected to heat to prepare the decarboxylated extract.\n\nSixty-two compounds, including 23 phytocannabinoids, terpenoids, flavonoids, hydrocarbons, phenols, and fatty acids\n\n[32]\n\n\nOthers, employed for spectral fingerprinting of cannabis samples\n\n\nThermal desorption ion mobility spectrometry (TD-IMS)\n\nFlowers, leaves\n\nCannabis sativa L.\n\nPowdered cannabis material was extracted with hexane and centrifuged.\n\nTHC, CBD, cannabidivarin (CBDV), cannabigerol (CBG), tetrahydrocannabivarin (THCV), and acidic forms\n\n[33]\n\n\nThin-layer chromatography (TLC)\n\nFlowers\n\nBedrocan, Bediol\n\nDeveloped and validated with the use of pure cannabinoid reference standards and two medicinal cannabis cultivars.\n\nCBD, THC, THCV, CBG, and cannabichromene (CBC)\n\n[34]\n\n\nHyperspectral coherent anti-Stokes Raman scattering spectroscopy (HCARS)\n\nFlowers\n\nBedrobinol, Fedora\n\nIdentified and localized THCA or CBDA and myrcene in secretory cavities of drug-type and fiber-type glandular trichomes.\n\nTHCA or CBDA and myrcene\n\n[35]\n\n\nSorptive tape-like extraction coupled with laser desorption ionization mass spectrometry (STELDI-MS)\n\nLeaves\n\nCannabis sativa L.\n\nExtracted using water\u2013methanol solvents then applied by spotting onto a silica gel 60 plate.\n\nCBD, CBN, THC, CBC, cannibidibutol (CBDB), cannabichromevarinic acid (CBCVA), and cannabidivarinic acid (CBDVA)\n\n[36]\n\n\n\nNMR \nNMR has been used as a metabolic fingerprinting tool to identify and characterize metabolites in plant extracts. Choi et al.[16] performed the metabolomic analysis of 12 C. sativa cultivars using proton NMR (1H NMR) and analyzed the data using multivariate analysis techniques. The ground cannabis material was extracted with 50% methanol and chloroform, and both water-soluble and chloroform-extracted fractions were collected and separated for further analysis. The water extract was enriched in primary metabolites, including carbohydrates (glucose and sucrose) and amino acids (asparagine and glutamic acid). 1H-1H correlation spectroscopy (COSY) and total COSY (TCOSY) spectra were used to assign the residual proton signals of sugars, and heteronuclear multiple bond correlation (HMBC) spectra gave evidence regarding amino acids present. Higher levels of carbohydrates and lower amino acid content were detected in leaves than in flowers. However, non-polar metabolites such as cannabinoids (THC, \u22069-tetrahydrocannabinolic acid [\u22069-THCA), CBD, cannabidiolic acid [CBDA], and CBN) were detected primarily in chloroform-extracted fractions. Principal component analysis (PCA, covariance method) was used to discriminate among cultivars using THCA and CBDA as major metabolites. In addition, water extracts containing amino acids and carbohydrates can also be used for identification. This technique uses limited information regarding metabolites to distinguish cultivars.[16]\nA similar study using 1H NMR and real-time polymerase chain reaction (RT-PCR) techniques determined transcript and metabolic profiles during the last four weeks of flowering. The additional metabolites identified were cannabichromenic acid (CBCA), inositol, acetic acid, fumaric acid, succinic acid, and choline. Partial least squares discriminant analysis (PLSDA) was used to classify metabolites. RT-PCR helped to monitor the expression levels of mRNA that encode the enzymes THCA synthase and CBDA synthase. Similar patterns of mRNA-encoding pathway enzymes and their respective metabolic product cannabinoids (THCA and CBDA) were observed.[37] Happyana and Kayser[18] also studied metabolite profiles in various plant anatomical structures, including the trichomes, flowers, and leaves of both Bedrocan and Bedica cultivars. The concentration of THCA in the chloroform extract provided the most discriminating information among the cultivars tested. Thirteen compounds were identified in water extracts. Interestingly, asparagine was absent in the water extracts of Bedica trichomes, and the presence of asparagine could be used to effectively discriminate among the cultivars. However, RT-PCR confirmed that THCA synthase was more expressed in leaves than in trichomes. These findings suggest that the expression of olivetolic acid synthase and olivetolic acid cyclase in trichomes triggers olivetolic acid production, which leads to THCA biosynthesis.[18]\nProton NMR experiments were performed in dimethyl sulfoxide (DMSO)-D6 without internal standards. The total THC (THCtot) or the sum of THC, THCA, and CBN was used as a marker for cannabis extract potency. The ratio of THCtot\/[CBD(A) + CBG(A)] was identified as a marker for chemotype, and the ratio of acidic\/neutral cannabinoids reflected decarboxylation, which reflected extract quality. The ratio of (total cannabinoids\/total phenolics, CANtot\/TPC) indicated the polarity of the extract. Selected NMR resonances of aliphatic (0\u20135 ppm) and aromatic (6\u20138 ppm) protons were used for the distinction of CBD-, THC-, and CBG-type cannabis. Cannabis extracts were prepared using solvents with a range of polarities to selectively fractionate compounds. The extracts reflected solvent polarity, where ethyl acetate recovered mostly cannabinoids, a 40% ethanol extract had moderate cannabinoids along with polar compounds, and a 70% methanol extract of heptane-defatted material was low in cannabinoids concentration. The authors also developed two high-performance liquid chromatography\u2013diode array detection (HPLC\/DAD) methods as complementary tools that could differentiate chemotypes and determine extract polarity. This approach enabled the quantification of cannabinoids\/acid derivatives (THC, CBD, CBG, and CBN) and flavones (homoorientin, orientin, isovitexin, vitexin, quercetin, apigenin, cannaflavin-A, and cannaflavin-B). In addition, phenol carbonic acids including chlorogenic acid were also identified.[19]\nProton NMR was applied along with chemometrics approaches to differentiate cannabis extracts.[38] Cannabis samples were directly extracted in deuterated chloroform. 1H NMR and COSY were used to discriminate among cultivars with spectral ranges of 0.5\u20137.2 and 7.4\u201313.0 ppm, thus avoiding the resonance of chloroform. The linear discriminant analysis (LDA) provided the best prediction accuracy of 99.8 \u00b1 0.4% for spectral profiling, and support vector classification machine trees (SVMTree) provided a robust tool and classification performance for 1H NMR spectra. 1D NMR has better reproducibility and an improved signal-to-noise ratio as compared to COSY. Tree-based classifiers used in multivariate analysis reduce non-linear classifications by dividing and conquering them into sets of smaller linear classifications. The large separations occur at the root of the tree and become more precise at the leaves.\n\n GC-FID\/MS \nAnalyses based on GC coupled with either MS or FID were used in metabolomic approaches to quantify and identify cannabinoids and terpenes. Subsequent multivariate data analysis can then be used to classify cannabis plants by their chemical diversity.[20] In Hazekamp et al.\u2019s group study[20], the compositions of cannabis and hemp accessions from the Netherlands were characterized. Eight major neutral cannabinoids and 36 terpenes were identified by GC-FID. Samples were extracted with absolute ethanol, and 1-octanol was used as an internal standard. All the acidic cannabinoids were fully converted to neutral cannabinoids at operating GC-FID detector temperatures (250 \u00b0C). A similar study was conducted on the composition and variability of cannabinoids, monoterpenoids, and sesquiterpenoids in 11 accessions grown in the same environmental conditions. In total, nine cannabinoids and 27 terpenoids were quantified, and PCA was used to discriminate among cannabis accessions. Higher levels of cannabinoids correlated with higher levels of terpenoids. Moreover, monoterpenoids can help to distinguish accessions containing similar cannabinoid and sesquiterpenoid profiles. The cannabinoid and terpenoid concentrations are reproducible for cannabis clones grown at separate times under standardized environmental conditions.[21]\nA GC-MS-based metabolomic study of two accessions of cannabis seed (CAN1 and CAN2) from different environments was performed. A total of 236 untargeted metabolites were identified, and 43 metabolites were significantly different between the accessions. The differing metabolites included cannabinoids, terpenes, fatty acids, carbohydrates, amino acids, organic acids, sugars, carboxylic acid, polyphenols, and polyamines. The crushed seed was extracted with methanol (70 \u00b0C) and centrifuged with ribitol as an internal standard. The supernatant was mixed with chloroform\u2013water, separated into two solvent phases, dried, and derivatized for GC-MS analysis. Finally, PCA was performed to discriminate metabolite profiles among two seed samples. A temperate cultivar selected from a high-altitude site (CAN2) had higher concentrations of cannabinoids, alkaloids, amino acids, and fatty acids than the control cultivar (CAN1).[22]\nA method that combined sorptive extraction using a stir bar followed by thermal desorption into two-dimensional GC (GC \u00d7 GC) coupled with time-of-flight mass spectrometry was developed to analyze cannabis metabolites. The extraction was performed by mixing cannabis flower samples with a solvent mixture (water\/methanol\/acetone) for 60 minutes at 50 \u00b0C in the presence of a stir bar coated with polydimethylsiloxane. The untargeted metabolic profiling using 2D GC and PCA analysis identified 754 metabolites that belong to different chemical classes such as monoterpenes, sesquiterpenes, hydrocarbons, cannabinoids, terpenoid alcohols, and fatty acids. Finally, 70 statistically significant analytes were selected for discrimination among cannabis subspecies.[23]\nA terpenoid profiling approach was developed that employed a static headspace sampler (SHS), followed by GC-MS\/MS, to quantify 93 terpenoids in 16 cannabis chemovars. Ground samples were subjected to direct measurement using an SHS, and chromatographic separations were conducted using a semi-polar stationary phase GC column. The selectivity for the quantification of overlapping compounds and increased sensitivity was achieved by the selected reaction monitoring mode in MS\/MS experiments. The sample preparation methods (decarboxylation, isobutanol\/ethanol\/supercritical CO2 extraction) significantly impacted volatile terpenoid concentrations compared to untreated cannabis samples.[24]\nIn a similar study, terpene metabolite compositions were compared for 33 chemovars using headspace GC-MS. A total of 67 terpenes were detected, including 29 monoterpenes and 38 sesquiterpenes. PCA analysis was performed to evaluate multivariate correlations and clustering among the metabolites. Nine major terpenes were present in the THC chemovars; however, three monoterpenes and four sesquiterpenes were predominant in CBD chemovars.[25]\n\nLC-MS \nBerman et al.[26] used ESI-LC\/MS to identify 94 cannabinoids from 10 different subclasses and compared 36 cannabis samples. The cannabis flower samples were extracted with ethanol, producing fractions that were then separated by HPLC for MS\/MS analysis. LC-MS normalized data were distinguished according to the hierarchical clustering of cannabinoids in cannabis samples. The variation observed among cannabis samples was associated with CBD, THC-type chemovars, and decomposition products. Based on available analytical standards, 13 cannabinoids were quantified while the remaining cannabinoids were identified based on masses obtained from the literature. The alkyl homologs elute from a reversed-phase column in the order C1-C3-C4-C5 (increasing lipophilicity). They also demonstrated that, despite the similar CBD content in the cannabis extract, the anticonvulsant effect of each extract differed. This finding elucidates the importance of the quantification of all cannabinoids.[26]\nAn LC-based targeted metabolomics approach coupled with an untargeted analysis was used to study 11 known and 21 uncharacterized cannabinoids. Cannabis samples were extracted with 80% ethanol, then injected onto UHPLC and quantified against known standards. Cannabis strains were clustered into five distinct groups based on the total THC\/CBD content in 33 commercial products. PCA and multiple linear regression were used to discriminate among the strains. Six unknown metabolites were unique to CBD-rich strains and three unknowns to THC-rich strains.[27]\nn LC-MS\/MS was developed to identify six major cannabinoids, and LC-QTOF was designed to identify and fingerprint the seven minor cannabinoids in 30 cannabis samples. Cannabis samples were extracted using supercritical CO2 with ethanol as a cosolvent. Atmospheric pressure chemical ionization and multiple reaction monitoring for MS acquisition were used to quantify cannabinoids. Analysis of the LC-MS\/MS data by PCA could discriminate among the varieties. The resulting data show differences in cannabinoids for plants grown indoors and outdoors. Specifically, higher concentrations of CBD, CBN, and THC were observed in outdoor-grown plants.[28]\nAn untargeted metabolomics approach was used to discriminate among metabolites in cannabis extracts using LC-HRMS\/MS and multivariate analysis. The chemical composition of cannabis samples extracted with ethanol and olive oil over time was compared. The major cannabinoids quantified include CBD, CBDA, THC, THCA, cannabigerolic acid (CBGA), and CBN. The other metabolites include trigonelline, proline, arginine, and choline. The cannabinoid concentrations were higher in ethanol as compared to olive oil extracts, while secondary metabolites predominated in olive oil extracts. The ratio of acidic to neutral cannabinoids was a discriminating feature present in both solvents.[29]\nUsing GC-TOF\/MS and LC-QTOF MS\/MS in high-resolution mode, an untargeted analysis of polar and non-polar cannabis extracts identified 169 metabolites, with 134 in the non-polar extracts and 46 in the polar extracts. The non-polar hexane extracts include neutral cannabinoids, terpenoids, lipids, hydrocarbons, and benzenoids, and the polar methanol extracts include cannabinoids, amino acids, flavonoids, and carbohydrates. The composition of cannabinoid and terpenoid products differed for the same cultivars grown in the greenhouse vs. the field.[30]\nAn LC-HRMS-based metabolic study was designed to determine secondary metabolite changes induced by exposing leaves to UV-C treatment. Powdered frozen leaf samples were extracted with isopropanol, filtered through SPE C18 columns, and subjected to LC-TOFMS analysis. LCMS data were recorded in both positive and negative electron ionization modes to obtain the m\/z ratio, retention time, and area. Multivariate analysis was performed by PCA and OPLS-DA (orthogonal projections to latent structures discriminant analysis) to discriminate and highlight the important features. Changes in cinnamic acid amides and stilbene-related compounds were observed, but not for cannabinoid content.[31]\nThe chemical profiling of dried commercial medical cannabis extracts was conducted for both the pre- and post-decarboxylation treatments. Dried cannabis was extracted with supercritical fluid (liquid carbon dioxide and ethanol as cosolvent) at ambient temperature to obtain a native extract. Decarboxylated products were prepared by heating the native extract to 170 \u00b0C. Ultra-high-performance liquid chromatography (UHPLC) in both electrospray ionization (ESI) (+ve) and (\u2212ve) modes was used to analyze both extracts. A total of 62 compounds were identified, including 23 phytocannabinoids, fatty acids, flavonoids, hydrocarbons, phenols, terpenoids, and other miscellaneous compounds. Not all compounds predicted from the heating of acidic cannabinoids or cannabinoid esters were present in the decarboxylated extract. Up to 26 predicted decarboxylation products were not detected.[32]\n\nOther analytical techniques \nAdditional analytical approaches have been employed for the spectral fingerprinting of cannabis samples. For example, thermal desorption ion mobility spectrometry (TD-IMS) was used to identify cannabinoids and discriminate different cannabis chemotypes. Powdered cannabis material was extracted with hexane, centrifuged, and subjected to TD-IMS analysis, where compounds were ionized using a 63Ni source. PCA, along with LDA, was used to cluster data and conduct chemotaxonomic discrimination.[33]\nFischedick et al.[34] developed a rapid TLC system to quantify THC in cannabis samples. This system enables the qualitative analysis of neutral cannabinoids such as CBD, THC, \u22069-THCV, CBG, and CBC. The use of normal-phase high-performance TLC plates with an automatic spotter and scanner provides a low-cost, high-throughput alternative for the forensic analysis and quality control of samples. The accuracy of this approach was confirmed by comparing results with those of a validated HPLC analysis. However, TLC has limited sensitivity and specificity compared to other methods.[14][34]\nRaman spectroscopy has also been utilized for the label-free, non-destructive, and chemically selective imaging of native biological samples. Hyperspectral coherent anti-Stokes Raman scattering (HCARS) was used to identify and localize THCA or CBDA and myrcene in the secretory cavities of drug-type and fiber-type glandular trichomes, respectively. A spectral fingerprint that indicated the presence of CBGA was only found in drug-type trichomes. Two-photon fluorescence spectroscopy was also utilized along with HCARS to differentiate chlorophyll A from chloroplasts and organic fluorescence from cell walls.[35]\nAnother study utilized sorptive tape-like extraction coupled with laser desorption ionization mass spectrometry (STELDI-MS). Cannabis samples were extracted using water\u2013methanol solvents and then applied by spotting onto a silica gel 60 plate, which was subjected to chromatographic separation and MS analysis. This technique produced less signal suppression and no matrix\u2013analyte adducts were formed. Therefore, the approach was an improvement over matrix-assisted laser desorption\/ionization (MALDI) without a normal phase separation step. The major cannabinoids detected were CBD, CBN, THC, CBC, CBDB, cannabichromevarinic acid (CBCVA), and cannabidivarinic acid (CBDVA). Moreover, markers associated with preservatives used in processing, such as ethyl 4-hydroxybenzoate, propyl 4-hydroxybenzoate, and butyl 4-hydroxybenzoate, were identified.[36]\n\nCurrent system and potential quality issues \nCurrent system \nCurrently, the following four systems play an important role in maintaining the safety testing and quality of cannabis (Figure 2).\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 2. Four systems play an important role in maintaining the safety testing and quality of cannabis.\n\n\n\nAnalysis for the enforcement of government regulations \nCannabis is a complex mixture containing various bioactive compounds. Government regulatory agencies in countries where cannabis is legal enforce minimum testing requirements for maintaining the safety and quality of these products. For example, the Canadian regulatory agency Health Canada has testing requirements for cannabinoids (e.g., THC, THCA, CBD, CBDA), microbials (e.g., mold, yeast, bacteria, mycotoxins, aflatoxins), chemical contaminants (e.g., residual solvents), pesticides, and heavy metals (e.g., arsenic, mercury, lead, cadmium). However, this system has drawbacks in covering all the compounds, as the same cultivar from different locations can have different concentrations based on its growing conditions and processing. The regulations have some limitations, including consistent analytical testing and defining cannabis categories; potency limits and variability between industries, accurate vaping technologies, and individual packages relative to labeling; and quality assurance in dispensing products.[39] In another instance, the Agriculture Improvement Act of 2018 regulations allow hemp cultivation with 0.3% THC (on a dry weight basis) but do not mention other hemp-derived cannabinoids such as \u22068-THC. This forms a risky situation where the product is sold to individuals of all ages in some U.S. states.[40][41] Hence, it is important to have scientific evidence-based regulations and testing regimens for all compounds to ensure consumer safety and product quality.\n\n Industry-\/Pharmacy-\/Retail-run \nIn the industry model, there are no standardized testing methods and no guidance provided by regulatory agencies. Hence, industry must develop its own methods, create standardized operating procedures (SOP), follow SOPs, and test only a limited set of compounds as required by regulators. Samples are also tested by third-party labs. However, this model also has drawbacks, as different labs use different analytical procedures, instrumental methods, and calibration standards, leading to variation in results.[42] Normally, companies do not share their analytical procedures with one another due to proprietary issues. There are also instances where THC inflation has been reported by specific labs to profit from their partners.[43]\n\nConsumer-led \nConsumers are more prone to buying cannabis based on the THC content and visual and sensory evaluation as quality indicators for recreational use.[44] It was speculated that high THC concentration would give a more desired effect; however, studies have shown that the effect is not based on the potency and is more complex. In one of the studies with 121 participants, half of them were provided with very high THC extracts (70% or 90% THC) and another half with cannabis flower (16% or 24% THC). However, it was found that the neurobehavior patterns were similar for both groups.[45] Hence, it is necessary to provide consumer education about quality, and they should be involved in future regulation systems.\n\nLaw enforcement agencies \nEnforcement agencies also play an important role in cannabis regulation and enforcement across borders. However, current systems\/forensic labs are majorly focused on THC toxication in biological samples (breath, blood, urine).[46] As a number of synthetic analogs have been developed, and with the natural variability of cannabis, these tests are unable to detect other psychoactive compounds.\n\nLack of standardized extraction and refinement methods \nDifferent extraction methods have been used to prepare cannabis extracts. The quality and composition of any plant extract are highly dependent on the extraction process. Extraction solvents range from water, hydrocarbons (e.g., butane, pentane, hexane), alcohols (e.g., ethanol, isopropanol), supercritical carbon dioxide, and many blends of these extractants. Cannabis compounds vary in polarity, molecular weight, and other properties that affect solubility in solvents that range in polarity. Extraction with water, a polar solvent, can be used to recover the entire trichome. Ethanol, with intermediate polarity, can recover flavonoids and pigments. Low-polarity solvents such as hydrocarbons do not dissolve chlorophyll and water. Supercritical carbon dioxide and mixed solvents can extract a wide range of compounds with similar low polarity. Once cannabinoids and associated molecules are extracted, they can be enriched and refined using short-path distillation, wiped film molecular distillation, and winterization.[47] These different processes produce varied chemical compositions in final products. For example, cannabis extracts are labeled based on the cannabinoid content, but due to the different extraction techniques involved, the overall concentration of other chemical compounds is altered and, in turn, changes the biological activity of the cannabis extract.\n\nCannabinoid and terpenoid stability \nCannabinoids and terpenoids represent the major bioactive component in cannabis and are biosynthesized by specific enzymes. The overall chemical composition and concentration of these compounds differ by the plant\u2019s genetics, age, growing conditions, stage of maturity at harvest, drying, storage, extraction, and formulation methods. However, these compounds easily degrade during post-harvest storage and the activation of acidic cannabinoids. Plant genetics plays an important role in preserving the bioactive compound profile. By growing in a greenhouse with controlled conditions, a consistent chemical profile can be produced. Moreover, slight variations can significantly affect the ratio and synergistic effects among different compounds and can affect overall activity.[48] Furthermore, if the cannabis flower is exposed to air and light for a prolonged period (not a controlled environment), acidic cannabinoids such as THC-A are oxidized to cannabinolic acid (CBN-A) and further converted to cannabinol (CBN). Moreover, CBN is reported as a weak psychoactive cannabinoid with mostly mild analgesic and anticonvulsant activity. Similarly, CBN can also be formed during the decarboxylation of THCA to THC.[49] On the other hand, terpenoids are volatile compounds, and storage (temperature and time) greatly affects their concentration. Terpenoids may also decompose via oxidation, isomerization, polymerization, thermal rearrangement, and dehydrogenation.[50] Concentration variations and byproduct formation have a negative effect on product quality and safety. Hence, the exact concentration of the cannabinoids and terpenes present in a food product must be disclosed (labeled), their stability enhanced (antioxidants), and the dosage guaranteed until expiry.\n\nLipid oxidation products \nCannabis extracts are often sold in vegetable oil carriers. There are reports of the interaction of lipid oxidation products with cannabis extracts. The oxidation products include oxygenated terpenoids such as verbenol, linalool, alpha-terpineol, terpinen-4-ol, aldehyde, alcohols, and ketones. Natural terpenes can undergo photo-oxidation in the presence of light and singlet oxygen. The first products formed are unstable allylic hydroperoxides. The spontaneous rearrangement of these oxidized products produces alcohols that are often further oxidized to their respective aldehydes and ketones. For example, limonene degrades to trans- and cis-metha-2,8-dien-1-ol and trans- and cis-carveol during photo-oxidation.[51][52] These cannabis oils are activated by heating, which decarboxylates acidic cannabinoids to produce neutral cannabinoids. This heating mediates the formation of several \u201cex novo\u201d lipid breakdown products such as ketones and aldehydes and can significantly influence oil digestibility and stability. It was observed that the concentration of ketones and aldehydes was lower under refrigerated conditions compared to room temperatures. Headspace\u2013solid-phase microextraction (HS-SPME) coupled with GC-MS was used to profile volatile compounds to understand storage (six weeks) and temperature\u2019s effects on cannabis-containing oils.[53] The formation of lipid oxidation products for cannabis macerated oils mostly depends on extraction method temperature, fatty acid composition (oil matrix of cannabis extract), and storage temperature. For example, medium-chain triglyceride oil is less susceptible to degradation compared to olive and hemp seed oils.[53]\n\nStructural and stereoisomers \nThere are several structural and stereoisomers reported for cannabinoids. Cannabinoids are made up of three moieties the isoprenyl residue, the resorcinyl core, and the sidechain.[54] THC can theoretically exist as seven structural isomers, \u03946a,10a-THC, \u03946a,7-THC, \u03947-THC, \u03948-THC, \u039410-THC, and \u03949,11-THC. These isomers have the same molecular formula but different bonding arrangements around the double bond from C9-C10 across the terpene ring. Currently, no analytical method is available for these isomers except \u03948-THC; the total THC content is calculated as combinations of \u03948-THC, \u03949-THC, and THCA. THC has two stereocenters and occurs as four stereoisomers: (\u2013) trans, (+)-trans, (\u2013)-cis, (+) cis. Only (\u2013) trans-\u03949-THC occurs naturally in the plant in the form of \u03949-THCA. Similarly, CBD occurs as two stereoisomers (\u2013) CBD and (+) CBD, in which (\u2013) enantiomer is a naturally occurring compound. These stereoisomers can be separated using chiral chromatography.[55][56]\n\nAdulteration \nCannabis has been modified or diluted with different types of adulterants. Adulteration might be performed to extend cannabis extracts with materials for economic gain, enhance the efficacy of low-quality cannabis, or mitigate cannabis\u2019 side effects. Cannabis has also been mixed with synthetic analogs (cannabimimetics) termed Spice\/K2 products. These analogs were initially synthesized to study the endocannabinoid system and develop therapeutically effective compounds. However, they have become subject to drug abuse. The number of these analogs is growing, and if some of them became regulated, they were replaced by another analog in the market to satisfy demand. LC-MS, GC-MS, and direct analysis in real-time (DART)-MS have been used to identify and measure these compounds, but the limited information regarding their chromatographic\/spectral information provides some challenges.[57] Adulterating cannabis with tobacco, calamus, or other cholinergic agents can increase the effects of cannabis or reduce adverse effects. There was a report of admixtures of cannabis and calamus root to reduce the adverse effects of cannabis. It was reported that beta-asarone in calamus roots blocks acetylcholinesterase, which diminishes cannabimimetic effects.[58] CBD can convert into THC in an acidic environment under laboratory conditions. In addition, terpenes can be converted to toxic degradants such as benzene (carcinogen) and methacrolein.[55] There were also reports of the adulteration of cannabis oil using pine rosin, NMR, and ESI-MS to identify pine rosin ingredients such as abietic and other resin acids. This can lead to inhalation toxicity in e-cigarettes and vaping products.[59] Similarly, vitamin E acetate was used as a major diluent in illicit cannabis vaporizer cartridges, detected by untargeted analysis (GC-MS and LC-MS\/MS).[60]\n\nAuthentomics \nAuthentomics analysis can provide verified analysis as a food screener that can protect consumers from fraud. Figure 3 summarizes the schematic of authentomics.\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 3. Schematic of authentomics as a food screener expecting a standardized platform.\n\n\n\nLessons from the food industry \nIn the last few years, there has been growing interest from consumers, producers, and food authorities for agro-food product quality and safety through the food chain from farm to fork. There are instances of fraudulent acts motivated by economic returns. Typical fraud can include dilution, tampering, adulteration, or the misrepresentation of food, food ingredients, or food packaging. Examples include spirit adulteration with methanol in place of ethanol. Such action led to the death of 38 people in the Czech Republic.[61] Similarly, in China, milk was adulterated with melamine to increase the nitrogen content. Nitrogen content measurements have been used in official methods as a surrogate for protein content. The unscrupulous addition of a high nitrogen content compound such as melamine to food prior to testing would indicate a higher nitrogen content and consequently be falsely interpreted as a higher protein in the product.[62]\nFood and food byproducts are made up of a complex matrix of various compounds\/metabolites in different concentrations. They are generated from biological materials handled through supply chains that can be complex, involving cultivation, storage, shipping, processing, packaging, and distribution. An authentic food product is \u201ca food product where there is a match between the actual food product characteristics and the corresponding food product claims; when the food product actually is what the claim says that is.\u201d[63][64] In a discussion paper on food integrity and food authenticity by the working group of the Codex Alimentarius Commission, food authenticity is described as \u201cthe quality of a food to be genuine and undisputed in its nature, origin, identity, and claims, and to meet expected properties\u201d; food fraud is described as \u201cany deliberate action of businesses or individuals to deceive others in regard to the integrity of food to gain undue advantage\u201d; and food integrity is described as \u201cthe status of a food product where it is authentic and not altered or modified with respect to expected characteristics including, safety, quality, and nutrition.\u201d[65] \nThe authentomics approach has been applied in the analysis of foods including wine, honey, juice, beer, olive oil, milk, and coffee. Food products are considered authentic if manufactured with proper quality procedures and all the chemical components are consistent. With proper processing, food should have a reproducible chemical composition. Food authentication has attracted interest among stakeholders such as food producers, importers, exporters, consumers, regulatory agencies, law enforcement, and the scientific community. Hence, a comprehensive approach is necessary to characterize the molecular constituents of food. Authentomics is not only related to product quality but also safety and health. Hence, rapid and robust analytical methods, reliable biomarkers, and big data analysis are important tools to overcome food fraud. There are strict regulations for food safety and authenticity across the world. The U.S. FDA developed the Food Safety Modernization Act (FSMA) to ensure a safe food supply by preventing contamination.[66] Similarly, the European Food Safety Authority (EFSA) evaluates the risk associated with the food chain.[67]\nThe knowledge of food authentomics could improve the analysis of cannabis products in several ways. Firstly, authentomics involves a comprehensive, non-targeted analysis of a food product, considering all its molecular constituents. This approach could be applied to cannabis products to provide a more complete picture of their composition, including the concentration of bioactive metabolites and any contaminants. This could help regulators and researchers to better understand and regulate the complex chemistry of cannabis products and to assure their safety and efficacy. Secondly, the use of reliable biomarkers and big data analysis could help to verify the authenticity of commercialized cannabis products by comparing their molecular profiles to those of historically authenticated samples. This could be particularly important in the cannabis industry, where there have been instances of fraudulent activities motivated by economic returns. Overall, the application of authentomics to the analysis of cannabis products could provide a more robust and reliable approach to ensuring product quality, safety, and authenticity and could help to protect consumers from the potential harm of counterfeit products.\nIn the case of cannabis products, the application of authentomics knowledge can also play a crucial role in improving the analysis and understanding of the hedonic qualities of these products. The authenticity of the chemical composition of the product can significantly impact sensory and hedonic attributes such as aroma, flavor, and potency. For instance, the presence of contaminants or unauthorized additives can lead to negative effects on the sensory experience of the product. On the other hand, the ability to accurately determine the chemical composition of the product can also help to understand the relationship between its chemical constituents and the sensory and hedonic qualities. This knowledge can assist in developing consistent and high-quality cannabis products that meet the expectations and preferences of consumers.\n\n Identification\u2013Conformity\u2013Quantification \nOne of the challenges in the food industry is to detect unexpected adulterants. For example, it was unexpected that melamine would be used as an adulterant in milk.[62] Hence, it is better to develop techniques to analyze both known and unknown (novel) compounds in the food components through targeted and untargeted analyses, respectively. In recent years, progress in analytical techniques has improved food authenticity and traceability. Some techniques include liquid and gas chromatography coupled with mass analyzers, DNA-based techniques, sensor techniques (e.g., electronic tongues, electronic noses), and other spectroscopic techniques (e.g., NMR, vibrational, fluorescence). Spectroscopic techniques can provide non-destructive platforms for non-invasive analyses that are rapid, easy to operate, and can be applied both for routine analysis and in food control laboratories in the industry.[68] The two primary analysis approaches of targeted and non-targeted analyses will prove important in the characterization of cannabis products.\n\nTargeted analyses \nTargeted analyses (TA) are used where metabolites are known, or specific biomarker compounds can be used to assess the purity of authentic food. For targeted analysis, it is important to have analytical procedures validated. Some examples include anthocyanin derivative analysis to determine red wine age using an HPLC-MS\/MS and CIELAB approach for 234 different vintages of red wine. Red wine aging is closely related to changes in anthocyanin composition and chromatic characteristics, regardless of environmental factors, variety, and winemaking technique. The anthocyanin stabilities were: pinotins > flavanyl-pyranoanthocyanins, vitisin A > monomeric anthocyanin, direct anthocyanin-flavan-3-ols condensation products > vitisin B, anthocyanin ethyl-linked flavan-3-ols products. Vitisin A, pinotin, and flavanyl-pyranoanthocyanins contributed significantly to each wine\u2019s prolonged aging color.[69] In another example of targeted analysis, polyphenol compounds in seeds such as flax, chia, and sesame were used as markers for authenticity in bakery products. Polyphenols were analyzed by HPLC-DAD-ESI-qTOF (MS\/MS) in different seeds and a chemometric approach was used to classify 12 compounds that acted as markers for discrimination among samples. The concentration and presence of lignans and hydroxycinnamic acid allowed discrimination among groups. The proposed markers were stable during baking and could be used to authenticate bakery products and raw materials containing these seeds.[70]\nTargeted analyses of cannabis and food products are mostly similar. The analysis of either matrix involves identifying specific compounds of interest and measuring their concentration. In both cases, the goal is to provide accurate information regarding product composition. The methods used to analyze the compounds of interest in food products and cannabis products can differ, as the latter may require more specialized techniques due to the presence of psychoactive compounds with unique properties. Despite these differences, the principles of targeted analysis are the same, as they provide a detailed and accurate picture of product composition.\n\nNon-targeted analysis \nThe analysis of food ingredients can produce chemical fingerprints. The chemical composition (fingerprint) is an excellent indicator of origin, authenticity, quality, and\/or adulteration. Fingerprint variations may indicate changes in the metabolite levels caused by different factors, including the geographical origin of the raw materials, production systems, adulteration, or storage conditions. A database of the fingerprint data of known food products is an essential tool in determining authenticity. After the database is developed, the authenticity of food can be affirmed by comparing a fingerprint of that food with an authentic food fingerprint from the database. These chemical fingerprints are obtained using various analytical technologies, which are selected based on the food and attributes. For example, a non-targeted analysis of virgin olive oils (i.e., extra virgin olive oil, EVOO; virgin olive oil, VOO; lampante olive oil, LOO) was performed by flash GC. A training set of 331 representative samples was collected\u2014representing different harvesting processes, geographical origins, sensory attributes, and olive oil cultivars\u2014and analyzed. The raw data collected from GC fingerprinting of the volatile fractions were interpreted using multivariate analysis (PLSDA). This approach provided a superior alternative to sensory panels, increasing efficiency and rapid screening for the classification of olive oil by quality.[71] This type of analysis can be applied in any laboratory or industry as a quality control measure. \nAnother example includes the application of Fourier transform near-infrared spectroscopy (FT-NIR), along with chemometrics, to discriminate between white truffles Tuber borchii and T. magnatum, and black truffles T. aestivum, T. indicum, and T. melanosporum. These truffles are sold at a high price due to the unique aroma and taste emitted from the fruiting bodies. For example, T. magnatum price ranges between 3,000 and 5,000 \u20ac\/kg, and T. melanosporum costs 700\u20131200 \u20ac\/kg. The large price difference increases the chances of the fraudulent misrepresentation of species of similar morphological appearance. Lyophilized truffle samples are rich in amino acids and dietary fiber. The selective bands observed for proteins and amino acids are at 6,667 cm\u22121 for N-H stretching bands. Furthermore, N-H bands at 4859 cm\u22121 and 4600 cm\u22121 were observed for amide groups. In this study, 75 samples from different geographical origins and harvest years were analyzed using FT-NIR. PCA discrimination afforded greater than 99% classification accuracy. In addition, an accuracy of >83% was achieved for differentiation between Italian and non-Italian T. magnatum samples. FT-NIR provided a simple, cost-effective, reliable, easy-to-handle solution to discriminate and authenticate truffle species.[72]\nThe non-targeted analysis of cannabis and food products share similarities in that this approach is designed to understand a sample\u2019s chemical composition comprehensively. A non-targeted analysis does not focus on pre-selected compounds and instead quantifies all measurable compounds present. This approach provides a more complete picture of the sample by detecting both known and unknown compounds.\nHowever, there are also differences in the non-targeted analysis of cannabis products and food products. The complexity of the chemical composition of cannabis products is often more significant compared to food products, as they contain numerous compounds, including cannabinoids, terpenes, flavonoids, and residual solvents. This complexity can make the non-targeted analysis of cannabis products more challenging than food products. Additionally, the regulations and legal considerations surrounding the analysis of cannabis products are different from food products, and as a result, the methods used for their analysis may also differ.\n\nFood metabolome databases \nThere are several public-domain food metabolome databases available for comparisons, with known and unknown metabolites present in food and food components. These databases are important tools for biomarker discovery, clinical chemistry, metabolomics, and general education. Some examples include the Human Metabolome Database (HMDB) containing 114,265 human metabolites, as well as compounds found in common foods, as these are present in the human body prior to metabolism.[73] The food database provides information on macronutrients and micronutrients, including compounds that contribute to food color, flavor, texture, and aroma. There are >28,000 metabolites reported in the database. Included is information regarding compound nomenclature, structure, chemical class, physico-chemical data, food source, and concentration in various foods.[74] \nAnother online database is Phytohub, which provides information regarding dietary phytochemicals and their human and animal metabolites. It includes secondary plant metabolites such as polyphenols, terpenoids, and alkaloids, and is designed to be used in nutritional metabolomics. It includes other information such as food source, molecular formula, monoisotopic mass, and MS\/MS fragments.[75] The Phenol-Explorer database explores foods\u2019 polyphenol content. The database contains > 35,000 content values for 500 different polyphenols in over 400 foods. The polyphenol data before and after processing were collected from peer-reviewed publications. The major data belong to fruit and vegetable food groups and their polyphenolic compounds. Cereals and oils are poorly represented in the database.[76] The yeast metabolome, which consists of the metabolite found in or produced by Saccharomyces cerevisiae (also known as Baker\u2019s yeast or Brewer\u2019s yeast), is also available as a database. This database is useful for the study of the origin and fate of yeast metabolites in a number of food products such as wine, bread, and beer, which are produced by yeast fermentation.[77]\nThese metabolome databases are important for identifying different metabolites in the food matrix. Initially, the profile of the chemical fingerprinting of representative samples should be created. The profile can then be compared with a large database of spectra for known authentic samples. For example, MetaboLights[78] is an open-access online repository where spectral, structural, and chromatographic data are shared for cross-species and cross-technique analysis. The database also contains information regarding the biological roles, concentration, origin, and metabolic pathways of metabolites. In some instances, raw experimental data from different experiments are included. The user studies in the database are labeled with a unique identifier for publication reference.[79][80] These raw data can potentially be used for external validation and aid in the comparison of results from different laboratories and identify robust markers for detecting food fraud. This can help with quality control monitoring and testing for determining purity and authenticity.\nThe development of a comprehensive cannabis metabolome database and standard methods that approach the detail and quality used in the authentomics analysis of food products is essential for ensuring the quality, safety, and efficacy of cannabis products. As the legal landscape for cannabis products continues to evolve, it is important to have robust analytical methods in place that can accurately and reliably assess the composition of these products. The use of a cannabis metabolome database and standardized methods will allow for the consistent and reproducible characterization of the molecular constituents of cannabis, which will be crucial for both regulatory compliance and consumer confidence in the safety and quality of these products. By incorporating the advances made in the authentomics analysis of food products, the cannabis industry can ensure that its products are of the highest quality and that consumers can have confidence in their safety and efficacy.\n\nFuture directions \nNon-targeted analysis \nCannabis is a complex chemical matrix composed of various types of secondary metabolites, including cannabinoids, terpenoids, flavonoids, and phenolic compounds. The plant is available in many different forms, including dried flower; pre-rolls; seeds; and vapes; extracts such as oils, capsules, resin, rosin, isolates, distillates, shatter, wax, hash, and kief; edibles such as chocolates, gummies, baked goods, confectionery, and beverages; and topicals such as creams, lotions, and bath salts. Currently, most targeted analysis methods for cannabis focus on quantifying specific compounds such as cannabinoids, terpenes, and contaminants such as residual solvents, pesticides, heavy metals, microbial contaminants, mold, bacteria, and yeast. However, only a limited number of non-targeted analysis methods have been developed, and they mostly lack validation and are performed in-house.\nNon-targeted analysis provides a significant advantage over targeted analysis in terms of identifying novel compounds or contaminants. For instance, the non-targeted approach can help identify contaminants such as vitamin E acetate, which was not known before and was used as an adulterant in vape cartridges.[60] By providing a comprehensive view of the chemical composition of cannabis products, non-targeted analysis can help ensure their safety and quality for consumption. Thus, there is a growing need for a cannabis metabolome database and standard methods that are as detailed and high-quality as those used in the authentomics analysis of food products.\n\nStandardized analytical procedures \nhere should be standardized analytical procedures for the analysis of compounds in cannabis extracts. Such analyses help to avoid analytical variations and can lead to using standard protocols across other labs. United States Pharmacopeia (USP) and the Association of Official Analytical Chemists (AOAC) have developed methods for cannabinoid analysis.[81][82] These standard methods will help industry partners and testing laboratories follow these standard procedures, validate their results, and use them for in-house testing. It will help to increase consumer confidence regarding labeling claims by the manufacturer.\n\nExperimental flow design \nA general experimental workflow is shown below (Figure 4).\n\r\n\n\n\n\n\n\n\n\n\n\nFig. 4. Schematic of authentomics as a food screener expecting a standardized platform.\n\n\n\nThe first important step is to design experiments involving a choice of samples to collect, the sample-handling procedure, detection methods, and expected outcomes. The second step requires sample handling with proper storage and temperature to mitigate the degradation of compounds. Sample preparation starts with harvesting (flower samples) and involves quenching, homogenization, and storage. For example, cannabinoids and terpenes are susceptible to heat and light and can easily convert to other byproducts. It is important to obtain representative samples of the batch to avoid any variation due to the heterogeneity of the cannabis matrix. Based on the detection methods, various solvents can be used for the extraction of metabolites. It is better to reduce the number of extraction steps to avoid any metabolite loss. This might require an individual\/combination of polar and non-polar solvents to extract different metabolites from cannabis samples. One option is the application of deuterated solvents such as deuterated chloroform or methanol to extract prior to NMR analysis. Non-targeted methods generate very large amounts of data and require multivariate analysis tools such as PCA, PLSDA, and hierarchical cluster analysis (HCA) to discriminate among samples. It is useful to have access to a database to store information and share it among various stakeholders. Finally, an analytical method should be appropriately validated and tested among different laboratories for variations.[83][84]\n\nOpen-access structure databases \nA chemical structure database containing metadata and spectral information is necessary to authenticate samples. The development of such a database requires open access to data sharing among various shareholders. The database must be clearly defined for its intended use and end-users. Implementing such databases is resource-intensive and includes defining the database scope, the collection of authentic and representative samples, sample preparation, data acquisition and validation, database storage, accessibility, and data validity. The supply chain risk assessment must be performed during database planning to determine the highest risk of fraud; for example, for dried herbal cannabis samples, the risk is at the geographical origin for the identification and traceability of chemovars, and for the finished products (edibles, concentrates) the metabolite profiling must be performed to determine any variability. The samples in the database should be authentic to be included.[85]\n\nAuthentic standards \nAn important consideration should be given to obtaining authentic standards for analysis. Due to the former stigma and the legal status of cannabis, research into its analysis has faced major roadblocks, especially in acquiring standards. There are 13 USP quality standards available for cannabinoids.[81] The availability of authentic standards ensures the availability of a foundation from which to ascertain the identity, purity, and potency of cannabis and reduces the chances of adulteration. As the number of known metabolites increases, more resources must be allotted to authenticate standards for identification and quantification. Standard purity and storage conditions should be emphasized, as these standards might be degraded by light and heat. Standards should be tested\/accessed before analysis to confirm reproducible and accurate results from samples.[86]\n\nPublic-private partnership \nIt is important that both public (i.e, government agencies, regulatory bodies, and academic institutions) and private (i.e., industry and testing labs) stakeholders work together in developing and sharing data and experimental approaches. Most targeted and non-targeted analyses have been developed and validated \u201cin-house,\u201d with little effort devoted to inter-laboratory reproducibility. The sources of variation in the laboratory can occur at the sampling, sample preparation, instrumentation, and data mining\/handling stages. This can be true for the analytical variation of different personnel in the same laboratory.[17] Emerald Scientific has developed The Emerald Test Inter-Laboratory Comparison Proficiency Test (ILC\/PT) Program for cannabis and hemp testing, with all proficiency tests being produced by ISO\/IEC 17043-accredited manufacturers. Samples are distributed to different labs, and the results are submitted through an electronic data portal. The individual labs receive results from both their own lab and other peer labs for comparison. Labs that perform within a specific tolerance in each proficiency test category established by the accredited provider receive the Emerald Badge.[87]\n\nMarkers for the standardization of herbal drugs and extracts \nMarkers are essential for the identification of product variation and authentication and for determining quality. One of the markers used to reflect the age of cannabis products is CBN, which was formed by different pathways, such as the decarboxylation of CBNA, which originates from THCA oxidation or the oxidation of \u03949-THC. CBN is present in very low amounts in fresh tinctures (cannabis extract) or dry cannabis flowers. Other stability markers have also been suggested, such as THCtot (THC +THCA + CBN) or CANtot (total acidic + total neutral cannabinoids), as well as ratio markers of THCA\/THC, CBGA\/CBG.[49] Moreover, \u03b1-terpinolene is a genetic marker that can distinguish between two gene pools for breeding low THC varieties and may be related to the geographical origin of cannabis materials.[53][88]\n\nMinor cannabinoids and their pharmacology \nThere has been more focus given to THC and CBD due to their initial discovery and bioactivity, but cannabis contains more than 100 cannabinoids. It will be useful to understand the pharmacological activity of minor cannabinoids. These compounds should be synthesized (less concentration in cannabis plants) and tested for their biological activity. Most other cannabinoids such as CBDA, \u22069-THCV, CBDV, CBG, and CBC are non-intoxicating. Some have great potential in medicinal applications and will help in our understanding of interactions among the compounds present in cannabis.[89][90]\n\nPersonalized medicine and pharmacometabolomics \nThe endocannabinoid system (ECS) of individuals varies considerably, leading to significant differences in the responses of individuals to cannabinoids. Progress in genomics might elucidate the role of genetic variability in response to cannabis. It is possible that genomic sequencing could help to understand differences in individual responses to cannabinoid therapy. Personalized approaches will be developed in the future that target therapies for individuals with specific ECS genetic variants and\/or individuals expressing biomarkers.\n\nConclusions \nThis study summarized authentomics using metabolomics to confirm the authenticity of cannabis, which is effective in medical and health promotion. This study of cannabis\u2019 big data analysis through authentomics demonstrates the quantitative analysis of commercially available cannabis product ingredients and patient samples. Mechanisms to certify cannabis ingredients are being developed, but performing these analyzes requires a global implementation of an auxiliary system that generates reliable data and verifies authenticity. The authentomics approach to food analytics, which is currently being pioneered, provides an international sentry system, including infrastructure, an approved ISO method for numerous foods, and a software and hardware framework to apply authentomics to any food product. It is designed to augment or replace targeted analysis by applying this approach to cannabis authentomics. The future development of authentomics and targeted analytics services for cannabis could be coordinated with the world\u2019s leading authentomics instrument and data analytics providers. Therefore, authentomics platform technology should be implemented into the cannabis quality system to meet the ISO standards verified by cannabis\u2019 integrated database design and construction. This authentomics platform technology would meet the needs of the cannabis industry to provide a robust analysis of target substances while collecting information that would capture currently intangible aspects of cannabis chemistry. The combination of targeted and untargeted analysis is essential to monitor the complex chemistry of cannabis products. Untargeted approaches require the use of big data to capture variability that is otherwise dismissed as unknown. Cannabis analysis is, therefore, much like that of food, requiring empirical knowledge of the concentration of regulated components and more subjective knowledge that would relate to the experience of the consumer. Therefore, this review combines the inside knowledge of the cannabis industry with the latest applications of the non-targeted analysis of plant materials.\n\n Abbreviations, acronyms, and initialisms \nAOAC: Association of Official Analytical Chemists\nCBC: cannabichromene\nCBCA: cannabichromenic acid\nCBCV: cannabidivarin\nCBCVA: cannabichromevarinic acid\nCBD: cannabidiol\nCBDA: cannabidiolic acid\nCBDB: cannibidibutol\nCBDV: cannabichromevarin\nCBDVA: cannabidivarinic acid\nCBE: cannabielsoin\nCBG: cannabigerol\nCBGA: cannabigerolic acid\nCBN: cannabinol\nCOSY: correlation spectroscopy\nECS: endocannabinoid system\nEFSA: European Food Safety Authority\nESI-TOF-MS: electrospray-ionization time-of-flight mass spectrometry\nFDA: Food and Drug Administration\nFID: flame ionization detector\nFSMA: Food Safety Modernization Act\nFT-NIR: Fourier transform near-infrared spectroscopy\nGC: gas chromatography\nGCxGC: comprehensive two-dimensional gas chromatography\nH NMR: proton nuclear magnetic resonance\nHCA: hierarchical cluster analysis\nHCARS: hyperspectral coherent anti-Stokes Raman scattering\nHMBC: heteronuclear multiple bond correlation\nHMDB: Human Metabolome Database\nHPLC: high-performance liquid chromatography\nHR-FABMS: high-resolution fast atom bombardment mass spectrometry\nHRMS\/MS: high-resolution mass spectrometry\nHS-SPME: headspace\u2013solid-phase microextraction\nIR: infrared\nISO: International Organization for Standardization\nLC-QTOF: liquid chromatography quadrupole time-of-flight\nLDA: linear discriminant analysis\nMS: mass spectrometry\nMS\/MS: tandem mass spectrometry\nNMR: nuclear magnetic resonance\nPCA: principal component analysis\nPLSDA: partial least squares discriminant analysis\nRT-PCR: real-time polymerase chain reaction\nSHS: static headspace sampler\nSTELDI: sorptive tape-like extraction coupled with laser desorption ionization\nTA: targeted analysis\nTCOSY: total COSY\nTD-IMS: thermal desorption ion mobility spectrometry\nTHC: tetrahydrocannabinol\nTHCA: tetrahydrocannabinolic acid\nTHCV: tetrahydrocannabivarin\nUHPLC: ultra-high-performance liquid chromatography\nUSP: United States Pharmacopeia\nUV-C: ultraviolet-C\nAcknowledgements \nAcademic support for the research project was obtained from the Team Phat research group.\n\nAuthor contributions \nConceptualization, O.J.P. and M.J.T.R.; validation, Y.Y.S.; data curation; P.D.J.; writing\u2014original draft preparation, P.D.J. and Y.Y.S.; writing\u2014review and editing, J.-T.J., H.-J.P., I.P., E.-S.P., Y.J.K. and M.J.T.R.; visualization, Y.Y.S.; supervision, M.J.T.R.; project administration, Y.Y.S.; funding acquisition, O.J.P. and I.P. All authors have read and agreed to the published version of the manuscript.\n\nFunding \nThis research was supported by the Korean Government Long-Term Fellowship Program for Overseas Study funded by the Ministry of Food and Drug Safety (called Korean FDA) and the Promotion (NO: P0016078) of Innovative Business for Regulation-Free Special Zones funded by the Ministry of SMEs and Startups (MSS, Republic of Korea).\n\nData availability statement \nThe data of the current study are available from the corresponding author upon reasonable request.\n\nConflicts of interest \nM.J.T.R. is the founder of, and has an equity interest in, Prairie Tide Diversified Inc. (PTD, Saskatoon, SK, Canada). Y.Y.S. is the Korea Branch Representative for PTD in Korea. The terms of this arrangement have been reviewed and approved by the University of Saskatchewan in accordance with its conflict-of-interest policies. 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(19 November 2020). \"Methods and related systems for extracting one or more chemical compounds from cannabis plant material\". Google Patents. https:\/\/patents.google.com\/patent\/WO2020227830A1\/en?oq=WO2020227830 . Retrieved 01 January 2023 .   \n \n\n\nNotes \nThis presentation is faithful to the original, with only a few minor changes to presentation. Some grammar and punctuation was cleaned up to improve readability. In some cases important information was missing from the references, and that information was added.\n\n\n\n\n\nSource: <a rel=\"external_link\" class=\"external\" href=\"https:\/\/www.limswiki.org\/index.php\/Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\">https:\/\/www.limswiki.org\/index.php\/Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)<\/a>\nCategories: Pages containing cite templates with deprecated parametersLIMSwiki journal articles (added in 2023)LIMSwiki journal articles (all)LIMSwiki journal articles on cannabis researchLIMSwiki journal articles on cannabis testingNavigation menuPage actionsJournalDiscussionView sourceHistoryPage actionsJournalDiscussionMoreToolsIn other languagesPersonal toolsLog inNavigationMain pageEncyclopedic articlesRecent changesRandom pageHelp about MediaWikiSearch\u00a0 ToolsWhat links hereRelated changesSpecial pagesPermanent linkPage informationPopular publications\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\n\n\t\r\nPrint\/exportCreate a bookDownload as PDFDownload as PDFDownload as Plain textPrintable version This page was last edited on 27 December 2023, at 00:01.Content is available under a Creative Commons Attribution-ShareAlike 4.0 International License unless otherwise noted.This page has been accessed 106 times.Privacy policyAbout LIMSWikiDisclaimers\n\n\n\n","35a71b50248b6ac20ff9f8080b3999e9_html":"<body class=\"mediawiki ltr sitedir-ltr mw-hide-empty-elt ns-206 ns-subject page-Journal_A_metabolomics_and_big_data_approach_to_cannabis_authenticity_authentomics rootpage-Journal_A_metabolomics_and_big_data_approach_to_cannabis_authenticity_authentomics skin-monobook action-view skin--responsive\"><div id=\"rdp-ebb-globalWrapper\"><div id=\"rdp-ebb-column-content\"><div id=\"rdp-ebb-content\" class=\"mw-body\" role=\"main\"><a id=\"rdp-ebb-top\"><\/a>\n<h1 id=\"rdp-ebb-firstHeading\" class=\"firstHeading\" lang=\"en\">Journal:A metabolomics and big data approach to cannabis authenticity (authentomics)<\/h1><div id=\"rdp-ebb-bodyContent\" class=\"mw-body-content\"><!-- start content --><div id=\"rdp-ebb-mw-content-text\" lang=\"en\" dir=\"ltr\" class=\"mw-content-ltr\"><div class=\"mw-parser-output\">\n\n\n<h2><span class=\"mw-headline\" id=\"Abstract\">Abstract<\/span><\/h2>\n<p>With the increasing accessibility of <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis\" title=\"Cannabis\" class=\"wiki-link\" data-key=\"af797c56ff03f240199d1fdff0690555\">cannabis<\/a> (<a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_sativa\" title=\"Cannabis sativa\" class=\"wiki-link\" data-key=\"d5a53204ff5f2a5f8964b8f9eab4581a\"><i>Cannabis sativa<\/i> L.<\/a>, also known as marijuana and <a href=\"https:\/\/www.limswiki.org\/index.php\/Hemp\" title=\"Hemp\" class=\"wiki-link\" data-key=\"27f1a712fd99617c16d5efbbf8e77682\">hemp<\/a>), its products are being developed as <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_concentrate\" title=\"Cannabis concentrate\" class=\"wiki-link\" data-key=\"d25b2da8b2191e3a0aaad235fc50ef93\">extracts<\/a> for both recreational and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_(drug)\" title=\"Cannabis (drug)\" class=\"wiki-link\" data-key=\"adb8a8e077400dd74bd0f711a95bf485\">therapeutic<\/a> use. This has led to increased scrutiny by <a href=\"https:\/\/www.limswiki.org\/index.php\/Regulatory_compliance\" title=\"Regulatory compliance\" class=\"wiki-link\" data-key=\"7dbc9be278a8efda25a4b592ee6ef0ca\">regulatory bodies<\/a>, who aim to understand and regulate the complex chemistry of these products to ensure their safety and efficacy. Regulators use targeted analyses to track the concentration of key bioactive <a href=\"https:\/\/www.limswiki.org\/index.php\/Metabolomics\" title=\"Metabolomics\" class=\"wiki-link\" data-key=\"6a49d4f37b3fd2c86e519398b7b7313a\">metabolites<\/a> and potentially harmful <a href=\"https:\/\/www.limswiki.org\/index.php\/Contamination\" title=\"Contamination\" class=\"wiki-link\" data-key=\"4086ab7c4bd58e8170a63591d18b5f1b\">contaminants<\/a>, such as <a href=\"https:\/\/www.limswiki.org\/index.php\/Heavy_metals\" title=\"Heavy metals\" class=\"wiki-link\" data-key=\"4772f54e1b1773bec54c2cb9bf4eae73\">heavy metals<\/a> and other impurities. However, the complexity of cannabis' metabolic pathways requires a more comprehensive approach. A non-targeted metabolomic analysis of cannabis products is necessary to generate data that can be used to determine their authenticity and efficacy. An authentomics approach, which involves combining the non-targeted analysis of new <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a> with big data comparisons to authenticated historic datasets, provides a robust method for verifying the <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_control\" title=\"Quality control\" class=\"wiki-link\" data-key=\"1e0e0c2eb3e45aff02f5d61799821f0f\">quality<\/a> of cannabis products. To meet International Organization for Standardization (ISO) standards, it is necessary to implement authentomics platform technology and build an integrated database of cannabis analytical results. This study is the first to review the topic of the authentomics of cannabis and its potential to meet ISO standards.\n<\/p><p><b>Keywords<\/b>: cannabis authenticity, <i>Cannabis sativa<\/i> L., authentomics, metabolites, nuclear magnetic resonance\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Introduction\">Introduction<\/span><\/h2>\n<p><a href=\"https:\/\/www.limswiki.org\/index.php\/Metabolomics\" title=\"Metabolomics\" class=\"wiki-link\" data-key=\"6a49d4f37b3fd2c86e519398b7b7313a\">Metabolomics<\/a> is a crucial approach for gaining insight into the largest possible set of low-molecular-weight metabolites present in biological <a href=\"https:\/\/www.limswiki.org\/index.php\/Sample_(material)\" title=\"Sample (material)\" class=\"wiki-link\" data-key=\"7f8cd41a077a88d02370c02a3ba3d9d6\">samples<\/a>. When used in conjunction with <a href=\"https:\/\/www.limswiki.org\/index.php\/Genotyping\" title=\"Genotyping\" class=\"wiki-link\" data-key=\"16956cd32d1321e4b5cc568bd7b0acf9\">genomics<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Transcriptome\" title=\"Transcriptome\" class=\"wiki-link\" data-key=\"9334f38dd458f41a93c570afe0f5825b\">transcriptomics<\/a>, and proteomics, metabolomics helps shed light on the workings of biological systems as they develop and respond to environmental stimuli.\n<\/p><p>Metabolomics is downstream of genomics, transcriptomics, and proteomics.<sup id=\"rdp-ebb-cite_ref-1\" class=\"reference\"><a href=\"#cite_note-1\">[1]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-2\" class=\"reference\"><a href=\"#cite_note-2\">[2]<\/a><\/sup> Comprehensive analysis of the metabolome is predicated on developments in analytical methods, data-handling tools, and database management systems that first generate big data sets using various chemometric techniques and subsequently use <a href=\"https:\/\/www.limswiki.org\/index.php\/Multivariate_statistics\" title=\"Multivariate statistics\" class=\"wiki-link\" data-key=\"c34108d6471f5026cdf5145cde3604f4\">multivariate analysis<\/a> for interpretation.<sup id=\"rdp-ebb-cite_ref-3\" class=\"reference\"><a href=\"#cite_note-3\">[3]<\/a><\/sup> <a href=\"https:\/\/www.limswiki.org\/index.php\/Nuclear_magnetic_resonance_spectroscopy\" title=\"Nuclear magnetic resonance spectroscopy\" class=\"wiki-link\" data-key=\"a05c6a4eb8775761248c099371cdb82f\">Nuclear magnetic resonance<\/a> (NMR) and <a href=\"https:\/\/www.limswiki.org\/index.php\/Chromatography\" title=\"Chromatography\" class=\"wiki-link\" data-key=\"2615535d1f14c6cffdfad7285999ad9d\">chromatography<\/a> (gas or liquid) coupled with <a href=\"https:\/\/www.limswiki.org\/index.php\/Mass_spectrometry\" title=\"Mass spectrometry\" class=\"wiki-link\" data-key=\"fb548eafe2596c35d7ea741849aa83d4\">mass spectrometry<\/a> (MS) are the most common techniques used in metabolomic analysis. \n<\/p><p>There are different approaches in metabolomics for the comprehensive analysis of both known and unknown metabolites. One approach, metabolic profiling, involves measuring large sets of metabolites to provide information about metabolism. Such an approach can include the characterization of both metabolites (unknown and known) and metabolic pathways. Analytical methods that focus on the repeated identification and quantification of pre-selected compounds are known as targeted approaches. On the other hand, non-targeted approaches quantify all measurable compounds, regardless of their identification. Both targeted and non-targeted methods can provide information about the concentration of known compounds, while unknown compounds can be interpreted as having relative concentrations. \n<\/p><p>A third approach, called metabolic fingerprinting, typically generates metabolic information without precise quantification and identification. This latter approach involves the production of a pattern that is, ideally, interpretable. Fingerprinting is used in food or food product authentication, where the fingerprint pattern of the unknown sample is compared with the spectral database of known samples to determine its conformity.<sup id=\"rdp-ebb-cite_ref-4\" class=\"reference\"><a href=\"#cite_note-4\">[4]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-5\" class=\"reference\"><a href=\"#cite_note-5\">[5]<\/a><\/sup> Metabolic studies can also be classified based on the study objectives, such as (a) informative studies, where the metabolites\u2019 identification and quantification are obtained; (b) discriminative studies, which help to distinguish metabolites among sample populations; and (c) predictive studies, which create statistical models to create class memberships.<sup id=\"rdp-ebb-cite_ref-6\" class=\"reference\"><a href=\"#cite_note-6\">[6]<\/a><\/sup>\n<\/p><p><a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis\" title=\"Cannabis\" class=\"wiki-link\" data-key=\"af797c56ff03f240199d1fdff0690555\">Cannabis<\/a> and its <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_concentrate\" title=\"Cannabis concentrate\" class=\"wiki-link\" data-key=\"d25b2da8b2191e3a0aaad235fc50ef93\">extracts<\/a> are chemically complex natural mixtures with various biologically active compounds (metabolites). These compounds include <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabinoid\" title=\"Cannabinoid\" class=\"wiki-link\" data-key=\"e9b004c140c97730fc3272a031127b82\">phytocannabinoids<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Terpene\" title=\"Terpene\" class=\"wiki-link\" data-key=\"66742ae6057cece4459de8ac33712546\">terpenoids<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Flavonoid\" title=\"Flavonoid\" class=\"wiki-link\" data-key=\"2a8458e7e0b267dfb33d99e6cd49a4a2\">flavonoids<\/a>, nitrogenous compounds, sugars, proteins, fatty acids, and more. (Table 1)\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 1.<\/b> Chemical constituents (metabolites) of <i>Cannabis sativa<\/i> L. (flowers) by chemical class.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Chemical class\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">1980 <sup id=\"rdp-ebb-cite_ref-:0_7-0\" class=\"reference\"><a href=\"#cite_note-:0-7\">[7]<\/a><\/sup>\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">1995 <sup id=\"rdp-ebb-cite_ref-:1_8-0\" class=\"reference\"><a href=\"#cite_note-:1-8\">[8]<\/a><\/sup>\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">2005 <sup id=\"rdp-ebb-cite_ref-:2_9-0\" class=\"reference\"><a href=\"#cite_note-:2-9\">[9]<\/a><\/sup>\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">2014 <sup id=\"rdp-ebb-cite_ref-:3_10-0\" class=\"reference\"><a href=\"#cite_note-:3-10\">[10]<\/a><\/sup>\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">2017 <sup id=\"rdp-ebb-cite_ref-:4_11-0\" class=\"reference\"><a href=\"#cite_note-:4-11\">[11]<\/a><\/sup>\n<\/th><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Cannabinoids (all)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">61\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">66\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">70\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">104\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">120\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">4\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBD\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">8\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBG\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">17\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">16\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   \u0394<sup>8<\/sup>-THC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   \u0394<sup>9<\/sup>-THC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">23\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBE\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">5\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBL\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">3\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBN\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">10\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBND\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   CBT\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">6\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">   Miscellaneous\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">14\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">22\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">30\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Nitrogenous compounds\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">29\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">33\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Amino acids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">18\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Proteins, enzymes, and glycoproteins\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Sugars and related compounds\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">34\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">34\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">34\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">34\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">34\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Hydrocarbons\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">50\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">50\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">50\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">50\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">50\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Simple alcohols\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">7\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Simple aldehydes\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Simple ketones\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Simple acids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">20\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Fatty acids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">12\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">23\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">23\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Simple esters and lactones\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">13\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Steroids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">11\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">15\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Terpenes\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">103\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">120\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">120\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">120\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">120\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Non-cannabinoid phenols\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">16\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">25\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">25\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">33\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">33\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flavonoids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">19\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">21\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">23\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">27\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Vitamins\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">1\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Pigments\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">2\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Elements\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">0\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">9\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>There were 423 compounds reported in the 1980s<sup id=\"rdp-ebb-cite_ref-:0_7-1\" class=\"reference\"><a href=\"#cite_note-:0-7\">[7]<\/a><\/sup>, and in 2017, the number of identified compounds increased to ~565<sup id=\"rdp-ebb-cite_ref-:4_11-1\" class=\"reference\"><a href=\"#cite_note-:4-11\">[11]<\/a><\/sup>, and more are being identified. The number of cannabinoids detected is now over 120.<sup id=\"rdp-ebb-cite_ref-:1_8-1\" class=\"reference\"><a href=\"#cite_note-:1-8\">[8]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:2_9-1\" class=\"reference\"><a href=\"#cite_note-:2-9\">[9]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:3_10-1\" class=\"reference\"><a href=\"#cite_note-:3-10\">[10]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:4_11-2\" class=\"reference\"><a href=\"#cite_note-:4-11\">[11]<\/a><\/sup> Among these cannabinoids, <a href=\"https:\/\/www.limswiki.org\/index.php\/Psychoactive_drug\" title=\"Psychoactive drug\" class=\"wiki-link\" data-key=\"6a7992dee27770a89a5fae8f10ad8ea8\">psychoactive<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabinol\" title=\"Tetrahydrocannabinol\" class=\"wiki-link\" data-key=\"53262e4c2e8af8a1d659f20e17de700d\">\u0394<sup>9<\/sup>-tetrahydrocannabinol<\/a> (THC) and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidiol\" title=\"Cannabidiol\" class=\"wiki-link\" data-key=\"d8d2dc32be186285bb35b8e1e7e8e319\">cannabidiol<\/a> (CBD) are best known for their contribution to pharmacological activity (Figure 1). These compounds are not the products of metabolic pathways but rather are produced as acidic precursors. The action of heat on these precursors induces <a href=\"https:\/\/www.limswiki.org\/index.php\/Decarboxylation\" title=\"Decarboxylation\" class=\"wiki-link\" data-key=\"3da6b2a4b7cbdf51d96c4773a92606fa\">decarboxylation<\/a> and the formation of bioactive compounds. Cannabis extracts contain a range of compounds, including cannabinoids and terpenes, of which many contribute a synergistic \u201c<a href=\"https:\/\/www.limswiki.org\/index.php\/Entourage_effect\" title=\"Entourage effect\" class=\"wiki-link\" data-key=\"f7914bce6836e7caaa0c9fc766a2cfa2\">entourage effect<\/a>\u201d where the therapeutic effect is greater than the sum of the individual compounds.<sup id=\"rdp-ebb-cite_ref-12\" class=\"reference\"><a href=\"#cite_note-12\">[12]<\/a><\/sup> While the U.S. <a href=\"https:\/\/www.limswiki.org\/index.php\/Food_and_Drug_Administration\" title=\"Food and Drug Administration\" class=\"wiki-link\" data-key=\"e2be8927071ac419c0929f7aa1ede7fe\">Food and Drug Administration<\/a> (FDA)-approved drugs such as Epidiolex, Marinol, Syndros, and Cesamet have demonstrated efficacy in treating certain ailments, there is still a great deal of potential for the use of cannabinoids in treating other conditions. Current research suggests that cannabinoids may have anti-inflammatory, analgesic, and anxiolytic properties, among others. However, further clinical trials are needed to fully understand the therapeutic potential of these compounds and mixtures of compounds. Interestingly, cannabinoids bind to receptors and exert biological effects.<sup id=\"rdp-ebb-cite_ref-13\" class=\"reference\"><a href=\"#cite_note-13\">[13]<\/a><\/sup> As one might expect, one class of receptors\u2014cannabinoid receptors\u2014was identified through their interaction with cannabinoids.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig1_Jadhav_IntJofMolSci23_24-9.png\" class=\"image wiki-link\" data-key=\"188baee30d3573df11a81f527865c186\"><img alt=\"Fig1 Jadhav IntJofMolSci23 24-9.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/3\/36\/Fig1_Jadhav_IntJofMolSci23_24-9.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 1.<\/b> Chemical structures of \u0394<sup>9<\/sup>-THC and CBD.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>Metabolomics analysis is useful in studies of plant responses to their environment (e.g., temperature, photoperiod, bioelicitors, fertilizers, water, atmosphere, etc.) and genotypic differences among plants. For example, metabolomics approaches can be used in developing better agronomic practices or the selection of cultivars with superior traits. <a href=\"https:\/\/www.limswiki.org\/index.php\/Gas_chromatography\" title=\"Gas chromatography\" class=\"wiki-link\" data-key=\"e621fc6f90266fbc8db27d516e9cbb94\">Gas chromatography<\/a> (GC) with a <a href=\"https:\/\/www.limswiki.org\/index.php\/Chromatography_detector\" title=\"Chromatography detector\" class=\"wiki-link\" data-key=\"e48f72a2a1c16444e5b5fcc685acb5cd\">flame ionization detector<\/a> (GC-FID) or <a href=\"https:\/\/www.limswiki.org\/index.php\/Mass_spectrometry\" title=\"Mass spectrometry\" class=\"wiki-link\" data-key=\"fb548eafe2596c35d7ea741849aa83d4\">mass spectrometer<\/a> (GC-MS) is often used in the analysis of cannabis and cannabis extracts. However, these approaches are limited to measuring metabolites that can be made volatile. Acidic precursors of THC and CBD experience decarboxylation in the typical GC injection port. If this is not carefully controlled, the analysis will be compromised.\n<\/p><p>Acidic cannabinoids can be stabilized and made more volatile by derivatization, especially via silylation, but the quantification can be less reliable.<sup id=\"rdp-ebb-cite_ref-:5_14-0\" class=\"reference\"><a href=\"#cite_note-:5-14\">[14]<\/a><\/sup> Moreover, in the high-temperature conditions typical in a GC injector, cannabinoids can thermally oxidize or isomerize. For example, unnatural compounds produced by isomerization, \u0394<sup>8<\/sup>-THC and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabinol\" title=\"Cannabinol\" class=\"wiki-link\" data-key=\"31f1857bfedfb177f3458b0a12df8194\">cannabinol<\/a> (CBN), were detected in cannabinoid extract analysis by GC. <a href=\"https:\/\/www.limswiki.org\/index.php\/High-performance_liquid_chromatography\" title=\"High-performance liquid chromatography\" class=\"wiki-link\" data-key=\"dc274e995eb18113903eebaef69c0cf9\">High-performance liquid chromatography<\/a> (HPLC) analysis is possible for the non-destructive analysis of cannabinoids, and compounds can be resolved using a range of media, though reverse-phase columns are widely used. While GC methods typically provide better resolution than HPLC, peak overlap in HPLC can typically be overcome when an MS detector is used. When <a href=\"https:\/\/www.limswiki.org\/index.php\/Tandem_mass_spectrometry\" title=\"Tandem mass spectrometry\" class=\"wiki-link\" data-key=\"55f167a11d8b5037392ba845986bf6bf\">tandem mass spectrometry<\/a> (MS\/MS) is applied, fragmentation patterns can serve to definitively identify cannabinoids.<sup id=\"rdp-ebb-cite_ref-:5_14-1\" class=\"reference\"><a href=\"#cite_note-:5-14\">[14]<\/a><\/sup> NMR has been used in cannabis extract analysis to discriminate among cultivars and determine the impact of elicitors in cannabis cell suspension cultures. NMR has advantages over chromatographic methods, including simplified sample preparation and non-destructive analysis. These characteristics make some NMR-based analyses suitable for high-throughput analysis and more reproducible than other methods. NMR is much less sensitive than MS but can provide, with fewer sample preparation steps, robust information regarding chemical fingerprints.<sup id=\"rdp-ebb-cite_ref-15\" class=\"reference\"><a href=\"#cite_note-15\">[15]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:6_16-0\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup> NMR methods also have an additional capability that is not always possible with other methods. NMR methods can be linear over a much larger dynamic range and interference can often be managed. In MS methods, the response is based on ionization phenomena, and the ion suppression of signals is common. Quantitative MS is difficult to accomplish without sophisticated standards for each analyte.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Metabolomic_technologies\">Metabolomic technologies<\/span><\/h2>\n<p>Many analytical tools have been applied to extract useful metabolomic information. However, due to the chemical heterogeneity of metabolites, large differences in metabolite concentration, and interactions among metabolites, single analytical platforms may fail in determining metabolic profiles. Therefore, combinations of analytical approaches are needed to capture most of the salient information required to characterize complex mixtures of compounds. The selection of the best analytical solution is influenced by the sample matrix, metabolite concentration and properties, and sample amount. Thus, metabolomics is described as an area of science rather than an analytical approach.<sup id=\"rdp-ebb-cite_ref-:7_17-0\" class=\"reference\"><a href=\"#cite_note-:7-17\">[17]<\/a><\/sup> Metabolomic technologies have been used to identify bioactive compounds in cannabis; they are summarized in Table 2 and briefly described below.\n<\/p>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table class=\"wikitable\" border=\"1\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><b>Table 2.<\/b> Different technologies for the identification of compounds in cannabis.\n<\/td><\/tr>\n<tr>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Identification\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Matrix\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Cultivar\/Strain\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Conditions\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Products\n<\/th>\n<th style=\"background-color:#dddddd; padding-left:10px; padding-right:10px;\">Refs\n<\/th><\/tr>\n<tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">NMR, a metabolic fingerprinting tool to identify and characterize metabolites in plant extracts\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Proton nuclear magnetic resonance (H NMR)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers, leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Recorded on 400.13 MHz in CDCl<sub>3<\/sub> and D<sub>2<\/sub>O, plant material was extracted with 50% aqueous methanol and chloroform.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">THC, <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabinolic_acid\" title=\"Tetrahydrocannabinolic acid\" class=\"wiki-link\" data-key=\"6615d85c022653e8e236f3be671849da\">tetrahydrocannabinolic acid<\/a> (THCA), CBD, <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabidiolic_acid\" title=\"Cannabidiolic acid\" class=\"wiki-link\" data-key=\"e8bf231fbcbb06a5b1fdedab37399f7f\">cannabidiolic acid<\/a> (CBDA), CBN\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:6_16-1\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">H NMR + <a href=\"https:\/\/www.limswiki.org\/index.php\/Real-time_polymerase_chain_reaction\" title=\"Real-time polymerase chain reaction\" class=\"wiki-link\" data-key=\"997eb4d057d5193289e722a4d0c74304\">real-time polymerase chain reaction<\/a> (RT-PCR)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Trichomes, flowers, leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Bedrocan, Bedica\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Recorded on 500.13 MHz. Fresh materials were ground to a fine powder using a pestle and a mortar under cold conditions.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">THCA\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:8_18-0\" class=\"reference\"><a href=\"#cite_note-:8-18\">[18]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">H NMR\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers, leaves, stalks\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Recorded at 300 K and 400 MHz and performed in DMSO-D<sub>6<\/sub> without internal standards.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Total THC or the sum of THC, THCA, and CBN\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:9_19-0\" class=\"reference\"><a href=\"#cite_note-:9-19\">[19]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-FID\/MS, both metabolomic approaches to quantify and identify cannabinoids and terpenes\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-FID\/MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L., <i><a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabis_indica\" title=\"Cannabis indica\" class=\"wiki-link\" data-key=\"a703c8282fa42dbe061cb2b6f14c5c0f\">Cannabis indica<\/a><\/i>, hybrid, Bedrocan\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted with absolute ethanol and 1-octanol.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Eight major neutral cannabinoids and 36 terpenes\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:10_20-0\" class=\"reference\"><a href=\"#cite_note-:10-20\">[20]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-FID\/MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Bedrocan, Bedropuur, Bediol\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Peak area variation of the internal standard 1-octanol for all cannabis samples.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Nine cannabinoids and 27 terpenoids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:11_21-0\" class=\"reference\"><a href=\"#cite_note-:11-21\">[21]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Seeds\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The crushed seed was extracted with methanol and centrifuged with ribitol as an internal standard.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Two-hundred and thirty-six untargeted metabolites were identified.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:12_22-0\" class=\"reference\"><a href=\"#cite_note-:12-22\">[22]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Comprehensive two-dimensional gas chromatography (GC\u00d7GC)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L., <i>Cannabis indica<\/i>, hybrid\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">The extraction of cannabis flower samples with a solvent mixture (water\/<a href=\"https:\/\/www.limswiki.org\/index.php\/Methanol\" title=\"Methanol\" class=\"wiki-link\" data-key=\"2d60dca53b0fff735079b4f5ca3ac765\">methanol<\/a>\/<a href=\"https:\/\/www.limswiki.org\/index.php\/Acetone\" title=\"Acetone\" class=\"wiki-link\" data-key=\"99d306af78ec222f74c47bd712dc24bf\">acetone<\/a>) with a stir bar coated with polydimethylsiloxane.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Monoterpenes, sesquiterpenes, hydrocarbons, cannabinoids, terpenoid alcohols, and fatty acids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:13_23-0\" class=\"reference\"><a href=\"#cite_note-:13-23\">[23]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-MS\/MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical cannabis strain\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Ground samples were subjected to direct measurement with a static headspace sampler, using a semi-polar stationary phase GC column.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Ninety-three terpenoids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:14_24-0\" class=\"reference\"><a href=\"#cite_note-:14-24\">[24]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Used for the profiling of cannabis because of its sensitivity and ability to highlight the aromatic expression of chemovars.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Sixty-seven terpenes (29 monoterpenes and 38 sesquiterpenes)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:15_25-0\" class=\"reference\"><a href=\"#cite_note-:15-25\">[25]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/Liquid_chromatography%E2%80%93mass_spectrometry\" title=\"Liquid chromatography\u2013mass spectrometry\" class=\"wiki-link\" data-key=\"d171745b38c8d2ed7d274d2cc13fa1f3\">Liquid chromatography\u2013mass spectrometry<\/a> (LC-MS), applicable to cannabis complex mixtures, polar and non-polar compounds\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/Electrospray_ionization\" title=\"Electrospray ionization\" class=\"wiki-link\" data-key=\"90dd99b6744f97bb5617fc8be68f60a1\">Electrospray ionization<\/a>-LC\/MS (ESI-LC\/MS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical cannabis strain\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted with <a href=\"https:\/\/www.limswiki.org\/index.php\/Ethanol\" title=\"Ethanol\" class=\"wiki-link\" data-key=\"006745841e6254e08e1d3963fa1e99a1\">ethanol<\/a>, producing fractions.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Ninety-four cannabinoids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:16_26-0\" class=\"reference\"><a href=\"#cite_note-:16-26\">[26]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/High-performance_liquid_chromatography#Pump_pressure\" title=\"High-performance liquid chromatography\" class=\"wiki-link\" data-key=\"b21062e39e1d314d1ff52e043a207816\">Ultra-high-performance liquid chromatography<\/a> (UHPLC)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted with 80% ethanol.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CBD and THC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:17_27-0\" class=\"reference\"><a href=\"#cite_note-:17-27\">[27]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">LC-MS\/MS, liquid chromatography <a href=\"https:\/\/www.limswiki.org\/index.php\/Quadrupole\" title=\"Quadrupole\" class=\"wiki-link\" data-key=\"8455517e18fb352dd0ba87d4fbdaf6c6\">quadrupole<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Time-of-flight_mass_spectrometry\" title=\"Time-of-flight mass spectrometry\" class=\"wiki-link\" data-key=\"5bbed401afb889a1300d168c278f56f5\">time-of-flight<\/a> (LC-QTOF)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Plant\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted using supercritical CO<sub>2<\/sub> with ethanol as a cosolvent. Atmospheric pressure chemical ionization with multiple reaction monitoring was used to quantify cannabinoids.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Six major cannabinoids and seven minor cannabinoids, CBD, CBN, and THC\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:18_28-0\" class=\"reference\"><a href=\"#cite_note-:18-28\">[28]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Liquid chromatography-high-resolution mass spectrometry (LC-HRMS\/MS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Bediol\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Analyzed using a non-targeted metabolomics approach. Isocratic elution with water\/MeCN 30:70 and 0.1% formic acid.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CBD, CBDA, THC, THCA, CBN, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabigerolic_acid\" title=\"Cannabigerolic acid\" class=\"wiki-link\" data-key=\"4df85885951587767051bff3077875b9\">cannabigerolic acid<\/a> (CBGA)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:19_29-0\" class=\"reference\"><a href=\"#cite_note-:19-29\">[29]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">GC-TOF\/MS, LC-QTOF MS\/MS\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers, leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Polar and non-polar cannabis extracts.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">One-hundred and thirty-four in the non-polar extracts and 46 in the polar extracts\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:20_30-0\" class=\"reference\"><a href=\"#cite_note-:20-30\">[30]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">LC-HRMS, ultraviolet-C (UV-C) treatment\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted with <a href=\"https:\/\/www.limswiki.org\/index.php\/Isopropanol\" title=\"Isopropanol\" class=\"wiki-link\" data-key=\"92f7ccdd1da84eb2a547cfdbd904ba43\">isopropanol<\/a>, filtered through SPE C<sub>18<\/sub> columns, and subjected to LC-TOF\/MS analysis.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Not for cannabinoid content\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:21_31-0\" class=\"reference\"><a href=\"#cite_note-:21-31\">[31]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">UHPLC\/ESI (+) and (\u2013) modes\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Medical cannabis strain\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Dried cannabis was extracted with supercritical fluid at ambient temperature to obtain a native extract. The native extract was subjected to heat to prepare the decarboxylated extract.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Sixty-two compounds, including 23 phytocannabinoids, terpenoids, flavonoids, hydrocarbons, phenols, and fatty acids\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:22_32-0\" class=\"reference\"><a href=\"#cite_note-:22-32\">[32]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td colspan=\"6\" style=\"background-color:white; padding-left:10px; padding-right:10px;\">Others, employed for spectral fingerprinting of cannabis samples\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/Thermal_desorption_spectroscopy\" title=\"Thermal desorption spectroscopy\" class=\"wiki-link\" data-key=\"696c0b3c0adfaa102a6566fb5623de33\">Thermal desorption<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Ion_mobility_spectrometry\" title=\"Ion mobility spectrometry\" class=\"wiki-link\" data-key=\"6f40a5b15a53657e6d94ff6202811af2\">ion mobility spectrometry<\/a> (TD-IMS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers, leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Powdered cannabis material was extracted with <a href=\"https:\/\/www.limswiki.org\/index.php\/Hexane\" title=\"Hexane\" class=\"wiki-link\" data-key=\"8da92c5224e7104d4f50b40d25b32ef8\">hexane<\/a> and centrifuged.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">THC, CBD, cannabidivarin (CBDV), <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabigerol\" title=\"Cannabigerol\" class=\"wiki-link\" data-key=\"a14f316a593e6b443b266b38d91bb289\">cannabigerol<\/a> (CBG), <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabivarin\" title=\"Tetrahydrocannabivarin\" class=\"wiki-link\" data-key=\"ac09489b5da472f2edcac844b873f128\">tetrahydrocannabivarin<\/a> (THCV), and acidic forms\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:23_33-0\" class=\"reference\"><a href=\"#cite_note-:23-33\">[33]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/Thin-layer_chromatography\" title=\"Thin-layer chromatography\" class=\"wiki-link\" data-key=\"304d2895ef01c9d03ba7cd783fb989be\">Thin-layer chromatography<\/a> (TLC)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Bedrocan, Bediol\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Developed and validated with the use of pure cannabinoid reference standards and two medicinal cannabis cultivars.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CBD, THC, THCV, CBG, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabichromene\" title=\"Cannabichromene\" class=\"wiki-link\" data-key=\"cda1eecdd346463b3a292e90325e6d65\">cannabichromene<\/a> (CBC)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:24_34-0\" class=\"reference\"><a href=\"#cite_note-:24-34\">[34]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><a href=\"https:\/\/www.limswiki.org\/index.php\/Hyperspectral_imaging\" title=\"Hyperspectral imaging\" class=\"wiki-link\" data-key=\"2279e6e74e62ccd6a2e7267f88ba4d6a\">Hyperspectral<\/a> <a href=\"https:\/\/www.limswiki.org\/index.php\/Coherent_anti-Stokes_Raman_spectroscopy\" title=\"Coherent anti-Stokes Raman spectroscopy\" class=\"wiki-link\" data-key=\"3eef0e0decc05d3ce9650b60b50686af\">coherent anti-Stokes Raman scattering spectroscopy<\/a> (HCARS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Flowers\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Bedrobinol, Fedora\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Identified and localized THCA or CBDA and <a href=\"https:\/\/www.limswiki.org\/index.php\/Myrcene\" title=\"Myrcene\" class=\"wiki-link\" data-key=\"bbc500b4ea3e991f03e5ebf0c974a4f0\">myrcene<\/a> in secretory cavities of drug-type and fiber-type glandular <a href=\"https:\/\/www.limswiki.org\/index.php\/Trichome\" title=\"Trichome\" class=\"wiki-link\" data-key=\"4480530cbe826ca8677209feda79f648\">trichomes<\/a>.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">THCA or CBDA and myrcene\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:25_35-0\" class=\"reference\"><a href=\"#cite_note-:25-35\">[35]<\/a><\/sup>\n<\/td><\/tr>\n<tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Sorptive tape-like extraction coupled with laser desorption ionization mass spectrometry (STELDI-MS)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Leaves\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><i>Cannabis sativa<\/i> L.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">Extracted using water\u2013methanol solvents then applied by spotting onto a silica gel 60 plate.\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\">CBD, CBN, THC, CBC, <a href=\"https:\/\/www.limswiki.org\/index.php\/Tetrahydrocannabutol#Chemistry\" title=\"Tetrahydrocannabutol\" class=\"wiki-link\" data-key=\"302f83b7d4dda60902df771eb162d5cc\">cannibidibutol<\/a> (CBDB), cannabichromevarinic acid (CBCVA), and cannabidivarinic acid (CBDVA)\n<\/td>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><sup id=\"rdp-ebb-cite_ref-:26_36-0\" class=\"reference\"><a href=\"#cite_note-:26-36\">[36]<\/a><\/sup>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"NMR\">NMR<\/span><\/h3>\n<p>NMR has been used as a metabolic fingerprinting tool to identify and characterize metabolites in plant extracts. Choi <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:6_16-2\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup> performed the metabolomic analysis of 12 <i>C. sativa<\/i> cultivars using proton NMR (<sup>1<\/sup>H NMR) and analyzed the data using multivariate analysis techniques. The ground cannabis material was extracted with 50% <a href=\"https:\/\/www.limswiki.org\/index.php\/Methanol\" title=\"Methanol\" class=\"wiki-link\" data-key=\"2d60dca53b0fff735079b4f5ca3ac765\">methanol<\/a> and chloroform, and both water-soluble and chloroform-extracted fractions were collected and separated for further analysis. The water extract was enriched in primary metabolites, including carbohydrates (glucose and sucrose) and amino acids (asparagine and glutamic acid). <sup>1<\/sup>H-<sup>1<\/sup>H correlation spectroscopy (COSY) and total COSY (TCOSY) spectra were used to assign the residual proton signals of sugars, and heteronuclear multiple bond correlation (HMBC) spectra gave evidence regarding amino acids present. Higher levels of carbohydrates and lower amino acid content were detected in leaves than in flowers. However, non-polar metabolites such as cannabinoids (THC, \u2206<sup>9<\/sup>-tetrahydrocannabinolic acid [\u2206<sup>9<\/sup>-THCA), CBD, cannabidiolic acid [CBDA], and CBN) were detected primarily in chloroform-extracted fractions. Principal component analysis (PCA, covariance method) was used to discriminate among cultivars using THCA and CBDA as major metabolites. In addition, water extracts containing amino acids and carbohydrates can also be used for identification. This technique uses limited information regarding metabolites to distinguish cultivars.<sup id=\"rdp-ebb-cite_ref-:6_16-3\" class=\"reference\"><a href=\"#cite_note-:6-16\">[16]<\/a><\/sup>\n<\/p><p>A similar study using <sup>1<\/sup>H NMR and <a href=\"https:\/\/www.limswiki.org\/index.php\/Real-time_polymerase_chain_reaction\" title=\"Real-time polymerase chain reaction\" class=\"wiki-link\" data-key=\"997eb4d057d5193289e722a4d0c74304\">real-time polymerase chain reaction<\/a> (RT-PCR) techniques determined transcript and metabolic profiles during the last four weeks of flowering. The additional metabolites identified were <a href=\"https:\/\/www.limswiki.org\/index.php\/Cannabichromenic_acid\" title=\"Cannabichromenic acid\" class=\"wiki-link\" data-key=\"7e6629489175cb5312cc7f88907f0316\">cannabichromenic acid<\/a> (CBCA), <a href=\"https:\/\/en.wikipedia.org\/wiki\/Inositol\" class=\"extiw wiki-link\" title=\"wikipedia:Inositol\" data-key=\"bd7817a6febe0d95ebb97d600bc68d5e\">inositol<\/a>, acetic acid, fumaric acid, succinic acid, and <a href=\"https:\/\/en.wikipedia.org\/wiki\/Choline\" class=\"extiw wiki-link\" title=\"wikipedia:Choline\" data-key=\"f0761e018138875a998a21c6c7c39116\">choline<\/a>. Partial least squares discriminant analysis (PLSDA) was used to classify metabolites. RT-PCR helped to monitor the expression levels of mRNA that encode the enzymes THCA synthase and CBDA synthase. Similar patterns of mRNA-encoding pathway enzymes and their respective metabolic product cannabinoids (THCA and CBDA) were observed.<sup id=\"rdp-ebb-cite_ref-37\" class=\"reference\"><a href=\"#cite_note-37\">[37]<\/a><\/sup> Happyana and Kayser<sup id=\"rdp-ebb-cite_ref-:8_18-1\" class=\"reference\"><a href=\"#cite_note-:8-18\">[18]<\/a><\/sup> also studied metabolite profiles in various plant anatomical structures, including the trichomes, flowers, and leaves of both Bedrocan and Bedica cultivars. The concentration of THCA in the chloroform extract provided the most discriminating information among the cultivars tested. Thirteen compounds were identified in water extracts. Interestingly, <a href=\"https:\/\/en.wikipedia.org\/wiki\/Asparagine\" class=\"extiw wiki-link\" title=\"wikipedia:Asparagine\" data-key=\"bcd655fda06e0f5f453e0f91a3619123\">asparagine<\/a> was absent in the water extracts of Bedica trichomes, and the presence of asparagine could be used to effectively discriminate among the cultivars. However, RT-PCR confirmed that THCA synthase was more expressed in leaves than in trichomes. These findings suggest that the expression of olivetolic acid synthase and olivetolic acid cyclase in trichomes triggers <a href=\"https:\/\/en.wikipedia.org\/wiki\/Olivetolic_acid\" class=\"extiw wiki-link\" title=\"wikipedia:Olivetolic acid\" data-key=\"4dfa1f8231c472796bd68bfe36e45da6\">olivetolic acid<\/a> production, which leads to THCA biosynthesis.<sup id=\"rdp-ebb-cite_ref-:8_18-2\" class=\"reference\"><a href=\"#cite_note-:8-18\">[18]<\/a><\/sup>\n<\/p><p>Proton NMR experiments were performed in dimethyl sulfoxide (DMSO)-D<sub>6<\/sub> without internal standards. The total THC (THC<sub>tot<\/sub>) or the sum of THC, THCA, and CBN was used as a marker for cannabis extract potency. The ratio of THC<sub>tot<\/sub>\/[CBD(A) + CBG(A)] was identified as a marker for chemotype, and the ratio of acidic\/neutral cannabinoids reflected decarboxylation, which reflected extract quality. The ratio of (total cannabinoids\/total phenolics, CAN<sub>tot<\/sub>\/TPC) indicated the polarity of the extract. Selected NMR resonances of aliphatic (0\u20135 ppm) and aromatic (6\u20138 ppm) protons were used for the distinction of CBD-, THC-, and CBG-type cannabis. Cannabis extracts were prepared using solvents with a range of polarities to selectively fractionate compounds. The extracts reflected solvent polarity, where <a href=\"https:\/\/www.limswiki.org\/index.php\/Ethyl_acetate\" title=\"Ethyl acetate\" class=\"wiki-link\" data-key=\"f063dad569481d68e5e73a4ad1564684\">ethyl acetate<\/a> recovered mostly cannabinoids, a 40% <a href=\"https:\/\/www.limswiki.org\/index.php\/Ethanol\" title=\"Ethanol\" class=\"wiki-link\" data-key=\"006745841e6254e08e1d3963fa1e99a1\">ethanol<\/a> extract had moderate cannabinoids along with polar compounds, and a 70% <a href=\"https:\/\/www.limswiki.org\/index.php\/Methanol\" title=\"Methanol\" class=\"wiki-link\" data-key=\"2d60dca53b0fff735079b4f5ca3ac765\">methanol<\/a> extract of <a href=\"https:\/\/www.limswiki.org\/index.php\/Heptane\" title=\"Heptane\" class=\"wiki-link\" data-key=\"271a2d1c9bdb07f3915826d15213c13d\">heptane<\/a>-defatted material was low in cannabinoids concentration. The authors also developed two high-performance liquid chromatography\u2013diode array detection (HPLC\/DAD) methods as complementary tools that could differentiate chemotypes and determine extract polarity. This approach enabled the quantification of cannabinoids\/acid derivatives (THC, CBD, CBG, and CBN) and <a href=\"https:\/\/www.limswiki.org\/index.php\/Flavonoid\" title=\"Flavonoid\" class=\"wiki-link\" data-key=\"2a8458e7e0b267dfb33d99e6cd49a4a2\">flavones<\/a> (homoorientin, orientin, isovitexin, vitexin, quercetin, apigenin, cannaflavin-A, and cannaflavin-B). In addition, phenol carbonic acids including chlorogenic acid were also identified.<sup id=\"rdp-ebb-cite_ref-:9_19-1\" class=\"reference\"><a href=\"#cite_note-:9-19\">[19]<\/a><\/sup>\n<\/p><p>Proton NMR was applied along with chemometrics approaches to differentiate cannabis extracts.<sup id=\"rdp-ebb-cite_ref-38\" class=\"reference\"><a href=\"#cite_note-38\">[38]<\/a><\/sup> Cannabis samples were directly extracted in deuterated chloroform. <sup>1<\/sup>H NMR and COSY were used to discriminate among cultivars with spectral ranges of 0.5\u20137.2 and 7.4\u201313.0 ppm, thus avoiding the resonance of chloroform. The linear discriminant analysis (LDA) provided the best prediction accuracy of 99.8 \u00b1 0.4% for spectral profiling, and support vector classification machine trees (SVMTree) provided a robust tool and classification performance for <sup>1<\/sup>H NMR spectra. <sup>1<\/sup>D NMR has better reproducibility and an improved signal-to-noise ratio as compared to COSY. Tree-based classifiers used in multivariate analysis reduce non-linear classifications by dividing and conquering them into sets of smaller linear classifications. The large separations occur at the root of the tree and become more precise at the leaves.\n<\/p>\n<h3><span id=\"rdp-ebb-GC-FID\/MS\"><\/span><span class=\"mw-headline\" id=\"GC-FID.2FMS\">GC-FID\/MS<\/span><\/h3>\n<p>Analyses based on GC coupled with either MS or FID were used in metabolomic approaches to quantify and identify cannabinoids and terpenes. Subsequent multivariate data analysis can then be used to classify cannabis plants by their chemical diversity.<sup id=\"rdp-ebb-cite_ref-:10_20-1\" class=\"reference\"><a href=\"#cite_note-:10-20\">[20]<\/a><\/sup> In Hazekamp <i>et al.<\/i>\u2019s group study<sup id=\"rdp-ebb-cite_ref-:10_20-2\" class=\"reference\"><a href=\"#cite_note-:10-20\">[20]<\/a><\/sup>, the compositions of cannabis and hemp accessions from the Netherlands were characterized. Eight major neutral cannabinoids and 36 terpenes were identified by GC-FID. Samples were extracted with absolute ethanol, and 1-octanol was used as an internal standard. All the acidic cannabinoids were fully converted to neutral cannabinoids at operating GC-FID detector temperatures (250 \u00b0C). A similar study was conducted on the composition and variability of cannabinoids, monoterpenoids, and sesquiterpenoids in 11 accessions grown in the same environmental conditions. In total, nine cannabinoids and 27 terpenoids were quantified, and PCA was used to discriminate among cannabis accessions. Higher levels of cannabinoids correlated with higher levels of terpenoids. Moreover, monoterpenoids can help to distinguish accessions containing similar cannabinoid and sesquiterpenoid profiles. The cannabinoid and terpenoid concentrations are reproducible for cannabis clones grown at separate times under standardized environmental conditions.<sup id=\"rdp-ebb-cite_ref-:11_21-1\" class=\"reference\"><a href=\"#cite_note-:11-21\">[21]<\/a><\/sup>\n<\/p><p>A GC-MS-based metabolomic study of two accessions of cannabis seed (CAN1 and CAN2) from different environments was performed. A total of 236 untargeted metabolites were identified, and 43 metabolites were significantly different between the accessions. The differing metabolites included cannabinoids, terpenes, fatty acids, carbohydrates, amino acids, organic acids, sugars, carboxylic acid, polyphenols, and polyamines. The crushed seed was extracted with methanol (70 \u00b0C) and centrifuged with ribitol as an internal standard. The supernatant was mixed with chloroform\u2013water, separated into two solvent phases, dried, and derivatized for GC-MS analysis. Finally, PCA was performed to discriminate metabolite profiles among two seed samples. A temperate cultivar selected from a high-altitude site (CAN2) had higher concentrations of cannabinoids, alkaloids, amino acids, and fatty acids than the control cultivar (CAN1).<sup id=\"rdp-ebb-cite_ref-:12_22-1\" class=\"reference\"><a href=\"#cite_note-:12-22\">[22]<\/a><\/sup>\n<\/p><p>A method that combined sorptive extraction using a stir bar followed by thermal desorption into two-dimensional GC (GC \u00d7 GC) coupled with time-of-flight mass spectrometry was developed to analyze cannabis metabolites. The extraction was performed by mixing cannabis flower samples with a solvent mixture (water\/methanol\/acetone) for 60 minutes at 50 \u00b0C in the presence of a stir bar coated with polydimethylsiloxane. The untargeted metabolic profiling using 2D GC and PCA analysis identified 754 metabolites that belong to different chemical classes such as monoterpenes, sesquiterpenes, hydrocarbons, cannabinoids, terpenoid alcohols, and fatty acids. Finally, 70 statistically significant analytes were selected for discrimination among cannabis subspecies.<sup id=\"rdp-ebb-cite_ref-:13_23-1\" class=\"reference\"><a href=\"#cite_note-:13-23\">[23]<\/a><\/sup>\n<\/p><p>A terpenoid profiling approach was developed that employed a static headspace sampler (SHS), followed by GC-MS\/MS, to quantify 93 terpenoids in 16 cannabis chemovars. Ground samples were subjected to direct measurement using an SHS, and chromatographic separations were conducted using a semi-polar stationary phase GC column. The selectivity for the quantification of overlapping compounds and increased sensitivity was achieved by the selected reaction monitoring mode in MS\/MS experiments. The sample preparation methods (decarboxylation, isobutanol\/ethanol\/supercritical CO2 extraction) significantly impacted volatile terpenoid concentrations compared to untreated cannabis samples.<sup id=\"rdp-ebb-cite_ref-:14_24-1\" class=\"reference\"><a href=\"#cite_note-:14-24\">[24]<\/a><\/sup>\n<\/p><p>In a similar study, terpene metabolite compositions were compared for 33 chemovars using headspace GC-MS. A total of 67 terpenes were detected, including 29 monoterpenes and 38 sesquiterpenes. PCA analysis was performed to evaluate multivariate correlations and clustering among the metabolites. Nine major terpenes were present in the THC chemovars; however, three monoterpenes and four sesquiterpenes were predominant in CBD chemovars.<sup id=\"rdp-ebb-cite_ref-:15_25-1\" class=\"reference\"><a href=\"#cite_note-:15-25\">[25]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"LC-MS\">LC-MS<\/span><\/h3>\n<p>Berman <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:16_26-1\" class=\"reference\"><a href=\"#cite_note-:16-26\">[26]<\/a><\/sup> used ESI-LC\/MS to identify 94 cannabinoids from 10 different subclasses and compared 36 cannabis samples. The cannabis flower samples were extracted with ethanol, producing fractions that were then separated by HPLC for MS\/MS analysis. LC-MS normalized data were distinguished according to the hierarchical clustering of cannabinoids in cannabis samples. The variation observed among cannabis samples was associated with CBD, THC-type chemovars, and decomposition products. Based on available analytical standards, 13 cannabinoids were quantified while the remaining cannabinoids were identified based on masses obtained from the literature. The alkyl homologs elute from a reversed-phase column in the order C1-C3-C4-C5 (increasing lipophilicity). They also demonstrated that, despite the similar CBD content in the cannabis extract, the anticonvulsant effect of each extract differed. This finding elucidates the importance of the quantification of all cannabinoids.<sup id=\"rdp-ebb-cite_ref-:16_26-2\" class=\"reference\"><a href=\"#cite_note-:16-26\">[26]<\/a><\/sup>\n<\/p><p>An LC-based targeted metabolomics approach coupled with an untargeted analysis was used to study 11 known and 21 uncharacterized cannabinoids. Cannabis samples were extracted with 80% ethanol, then injected onto UHPLC and quantified against known standards. Cannabis strains were clustered into five distinct groups based on the total THC\/CBD content in 33 commercial products. PCA and multiple linear regression were used to discriminate among the strains. Six unknown metabolites were unique to CBD-rich strains and three unknowns to THC-rich strains.<sup id=\"rdp-ebb-cite_ref-:17_27-1\" class=\"reference\"><a href=\"#cite_note-:17-27\">[27]<\/a><\/sup>\n<\/p><p>n LC-MS\/MS was developed to identify six major cannabinoids, and LC-QTOF was designed to identify and fingerprint the seven minor cannabinoids in 30 cannabis samples. Cannabis samples were extracted using supercritical CO<sub>2<\/sub> with ethanol as a cosolvent. Atmospheric pressure chemical ionization and multiple reaction monitoring for MS acquisition were used to quantify cannabinoids. Analysis of the LC-MS\/MS data by PCA could discriminate among the varieties. The resulting data show differences in cannabinoids for plants grown indoors and outdoors. Specifically, higher concentrations of CBD, CBN, and THC were observed in outdoor-grown plants.<sup id=\"rdp-ebb-cite_ref-:18_28-1\" class=\"reference\"><a href=\"#cite_note-:18-28\">[28]<\/a><\/sup>\n<\/p><p>An untargeted metabolomics approach was used to discriminate among metabolites in cannabis extracts using LC-HRMS\/MS and multivariate analysis. The chemical composition of cannabis samples extracted with ethanol and olive oil over time was compared. The major cannabinoids quantified include CBD, CBDA, THC, THCA, cannabigerolic acid (CBGA), and CBN. The other metabolites include trigonelline, proline, arginine, and choline. The cannabinoid concentrations were higher in ethanol as compared to olive oil extracts, while secondary metabolites predominated in olive oil extracts. The ratio of acidic to neutral cannabinoids was a discriminating feature present in both solvents.<sup id=\"rdp-ebb-cite_ref-:19_29-1\" class=\"reference\"><a href=\"#cite_note-:19-29\">[29]<\/a><\/sup>\n<\/p><p>Using GC-TOF\/MS and LC-QTOF MS\/MS in high-resolution mode, an untargeted analysis of polar and non-polar cannabis extracts identified 169 metabolites, with 134 in the non-polar extracts and 46 in the polar extracts. The non-polar hexane extracts include neutral cannabinoids, terpenoids, lipids, hydrocarbons, and benzenoids, and the polar methanol extracts include cannabinoids, amino acids, flavonoids, and carbohydrates. The composition of cannabinoid and terpenoid products differed for the same cultivars grown in the greenhouse vs. the field.<sup id=\"rdp-ebb-cite_ref-:20_30-1\" class=\"reference\"><a href=\"#cite_note-:20-30\">[30]<\/a><\/sup>\n<\/p><p>An LC-HRMS-based metabolic study was designed to determine secondary metabolite changes induced by exposing leaves to UV-C treatment. Powdered frozen leaf samples were extracted with isopropanol, filtered through SPE C18 columns, and subjected to LC-TOFMS analysis. LCMS data were recorded in both positive and negative electron ionization modes to obtain the m\/z ratio, retention time, and area. Multivariate analysis was performed by PCA and OPLS-DA (orthogonal projections to latent structures discriminant analysis) to discriminate and highlight the important features. Changes in cinnamic acid amides and stilbene-related compounds were observed, but not for cannabinoid content.<sup id=\"rdp-ebb-cite_ref-:21_31-1\" class=\"reference\"><a href=\"#cite_note-:21-31\">[31]<\/a><\/sup>\n<\/p><p>The chemical profiling of dried commercial medical cannabis extracts was conducted for both the pre- and post-decarboxylation treatments. Dried cannabis was extracted with supercritical fluid (liquid carbon dioxide and ethanol as cosolvent) at ambient temperature to obtain a native extract. Decarboxylated products were prepared by heating the native extract to 170 \u00b0C. Ultra-high-performance liquid chromatography (UHPLC) in both electrospray ionization (ESI) (+ve) and (\u2212ve) modes was used to analyze both extracts. A total of 62 compounds were identified, including 23 phytocannabinoids, fatty acids, flavonoids, hydrocarbons, phenols, terpenoids, and other miscellaneous compounds. Not all compounds predicted from the heating of acidic cannabinoids or cannabinoid esters were present in the decarboxylated extract. Up to 26 predicted decarboxylation products were not detected.<sup id=\"rdp-ebb-cite_ref-:22_32-1\" class=\"reference\"><a href=\"#cite_note-:22-32\">[32]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Other_analytical_techniques\">Other analytical techniques<\/span><\/h3>\n<p>Additional analytical approaches have been employed for the spectral fingerprinting of cannabis samples. For example, thermal desorption ion mobility spectrometry (TD-IMS) was used to identify cannabinoids and discriminate different cannabis chemotypes. Powdered cannabis material was extracted with hexane, centrifuged, and subjected to TD-IMS analysis, where compounds were ionized using a 63Ni source. PCA, along with LDA, was used to cluster data and conduct chemotaxonomic discrimination.<sup id=\"rdp-ebb-cite_ref-:23_33-1\" class=\"reference\"><a href=\"#cite_note-:23-33\">[33]<\/a><\/sup>\n<\/p><p>Fischedick <i>et al.<\/i><sup id=\"rdp-ebb-cite_ref-:24_34-1\" class=\"reference\"><a href=\"#cite_note-:24-34\">[34]<\/a><\/sup> developed a rapid TLC system to quantify THC in cannabis samples. This system enables the qualitative analysis of neutral cannabinoids such as CBD, THC, \u2206<sup>9<\/sup>-THCV, CBG, and CBC. The use of normal-phase high-performance TLC plates with an automatic spotter and scanner provides a low-cost, high-throughput alternative for the forensic analysis and quality control of samples. The accuracy of this approach was confirmed by comparing results with those of a validated HPLC analysis. However, TLC has limited sensitivity and specificity compared to other methods.<sup id=\"rdp-ebb-cite_ref-:5_14-2\" class=\"reference\"><a href=\"#cite_note-:5-14\">[14]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-:24_34-2\" class=\"reference\"><a href=\"#cite_note-:24-34\">[34]<\/a><\/sup>\n<\/p><p>Raman spectroscopy has also been utilized for the label-free, non-destructive, and chemically selective imaging of native biological samples. Hyperspectral coherent anti-Stokes Raman scattering (HCARS) was used to identify and localize THCA or CBDA and myrcene in the secretory cavities of drug-type and fiber-type glandular trichomes, respectively. A spectral fingerprint that indicated the presence of CBGA was only found in drug-type trichomes. Two-photon fluorescence spectroscopy was also utilized along with HCARS to differentiate chlorophyll A from chloroplasts and organic fluorescence from cell walls.<sup id=\"rdp-ebb-cite_ref-:25_35-1\" class=\"reference\"><a href=\"#cite_note-:25-35\">[35]<\/a><\/sup>\n<\/p><p>Another study utilized sorptive tape-like extraction coupled with laser desorption ionization mass spectrometry (STELDI-MS). Cannabis samples were extracted using water\u2013methanol solvents and then applied by spotting onto a silica gel 60 plate, which was subjected to chromatographic separation and MS analysis. This technique produced less signal suppression and no matrix\u2013analyte adducts were formed. Therefore, the approach was an improvement over <a href=\"https:\/\/www.limswiki.org\/index.php\/Matrix-assisted_laser_desorption\/ionization\" title=\"Matrix-assisted laser desorption\/ionization\" class=\"wiki-link\" data-key=\"40fd846ed04445fcd70cf279f2971d29\">matrix-assisted laser desorption\/ionization<\/a> (MALDI) without a normal phase separation step. The major cannabinoids detected were CBD, CBN, THC, CBC, CBDB, cannabichromevarinic acid (CBCVA), and cannabidivarinic acid (CBDVA). Moreover, markers associated with preservatives used in processing, such as ethyl 4-hydroxybenzoate, propyl 4-hydroxybenzoate, and butyl 4-hydroxybenzoate, were identified.<sup id=\"rdp-ebb-cite_ref-:26_36-1\" class=\"reference\"><a href=\"#cite_note-:26-36\">[36]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Current_system_and_potential_quality_issues\">Current system and potential quality issues<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Current_system\">Current system<\/span><\/h3>\n<p>Currently, the following four systems play an important role in maintaining the safety testing and quality of cannabis (Figure 2).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig2_Jadhav_IntJofMolSci23_24-9.png\" class=\"image wiki-link\" data-key=\"83db888f0690a6ca1bdd21707e10c136\"><img alt=\"Fig2 Jadhav IntJofMolSci23 24-9.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/1\/17\/Fig2_Jadhav_IntJofMolSci23_24-9.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 2.<\/b> Four systems play an important role in maintaining the safety testing and quality of cannabis.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h4><span class=\"mw-headline\" id=\"Analysis_for_the_enforcement_of_government_regulations\">Analysis for the enforcement of government regulations<\/span><\/h4>\n<p>Cannabis is a complex mixture containing various bioactive compounds. Government regulatory agencies in countries where cannabis is legal enforce minimum testing requirements for maintaining the safety and <a href=\"https:\/\/www.limswiki.org\/index.php\/Quality_control\" title=\"Quality control\" class=\"wiki-link\" data-key=\"1e0e0c2eb3e45aff02f5d61799821f0f\">quality<\/a> of these products. For example, the Canadian regulatory agency Health Canada has testing requirements for cannabinoids (e.g., THC, THCA, CBD, CBDA), microbials (e.g., mold, yeast, bacteria, <a href=\"https:\/\/www.limswiki.org\/index.php\/Mycotoxin\" title=\"Mycotoxin\" class=\"wiki-link\" data-key=\"eddb3b08cf1f4fed66e74d7d61b99392\">mycotoxins<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Aflatoxin\" title=\"Aflatoxin\" class=\"wiki-link\" data-key=\"7296c52cda624a2024df91db1599f3ed\">aflatoxins<\/a>), chemical contaminants (e.g., residual <a href=\"https:\/\/www.limswiki.org\/index.php\/Solvent\" title=\"Solvent\" class=\"wiki-link\" data-key=\"06ffe45f280d70d62ec7bc3dc5804c37\">solvents<\/a>), <a href=\"https:\/\/www.limswiki.org\/index.php\/Pesticide\" title=\"Pesticide\" class=\"wiki-link\" data-key=\"e2add77b6f85cd1a1cdb4a0dbeab2de9\">pesticides<\/a>, and <a href=\"https:\/\/www.limswiki.org\/index.php\/Heavy_metals\" title=\"Heavy metals\" class=\"wiki-link\" data-key=\"4772f54e1b1773bec54c2cb9bf4eae73\">heavy metals<\/a> (e.g., <a href=\"https:\/\/www.limswiki.org\/index.php\/Arsenic\" title=\"Arsenic\" class=\"wiki-link\" data-key=\"4412b5f4d62ab1fe1df8cb6382104b87\">arsenic<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Mercury_(element)\" title=\"Mercury (element)\" class=\"wiki-link\" data-key=\"07ed7196f4580536720e63bd1ba9588e\">mercury<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Lead\" title=\"Lead\" class=\"wiki-link\" data-key=\"ea354a8ebb7e7976e9d2fec3423469b0\">lead<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Cadmium\" title=\"Cadmium\" class=\"wiki-link\" data-key=\"42f219fd956fed92080852e5bdf14bd3\">cadmium<\/a>). However, this system has drawbacks in covering all the compounds, as the same cultivar from different locations can have different concentrations based on its growing conditions and processing. The regulations have some limitations, including consistent analytical testing and defining cannabis categories; <a href=\"https:\/\/www.limswiki.org\/index.php\/Potency\" class=\"mw-redirect wiki-link\" title=\"Potency\" data-key=\"1460713f572de520cf506b957690e19c\">potency<\/a> limits and variability between industries, accurate vaping technologies, and individual packages relative to labeling; and quality assurance in dispensing products.<sup id=\"rdp-ebb-cite_ref-39\" class=\"reference\"><a href=\"#cite_note-39\">[39]<\/a><\/sup> In another instance, the <a href=\"https:\/\/www.limswiki.org\/index.php\/Agriculture_Improvement_Act_of_2018\" title=\"Agriculture Improvement Act of 2018\" class=\"wiki-link\" data-key=\"2b4d95fadf7a08b5d1f5e2cfe6d74303\">Agriculture Improvement Act of 2018<\/a> regulations allow hemp cultivation with 0.3% THC (on a dry weight basis) but do not mention other hemp-derived cannabinoids such as \u2206<sup>8<\/sup>-THC. This forms a risky situation where the product is sold to individuals of all ages in some U.S. states.<sup id=\"rdp-ebb-cite_ref-40\" class=\"reference\"><a href=\"#cite_note-40\">[40]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-41\" class=\"reference\"><a href=\"#cite_note-41\">[41]<\/a><\/sup> Hence, it is important to have scientific evidence-based regulations and testing regimens for all compounds to ensure consumer safety and product quality.\n<\/p>\n<h4><span id=\"rdp-ebb-Industry-\/Pharmacy-\/Retail-run\"><\/span><span class=\"mw-headline\" id=\"Industry-.2FPharmacy-.2FRetail-run\">Industry-\/Pharmacy-\/Retail-run<\/span><\/h4>\n<p>In the industry model, there are no standardized testing methods and no guidance provided by regulatory agencies. Hence, industry must develop its own methods, create standardized operating procedures (SOP), follow SOPs, and test only a limited set of compounds as required by regulators. Samples are also tested by third-party labs. However, this model also has drawbacks, as different labs use different analytical procedures, instrumental methods, and calibration standards, leading to variation in results.<sup id=\"rdp-ebb-cite_ref-42\" class=\"reference\"><a href=\"#cite_note-42\">[42]<\/a><\/sup> Normally, companies do not share their analytical procedures with one another due to proprietary issues. There are also instances where THC inflation has been reported by specific labs to profit from their partners.<sup id=\"rdp-ebb-cite_ref-43\" class=\"reference\"><a href=\"#cite_note-43\">[43]<\/a><\/sup>\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Consumer-led\">Consumer-led<\/span><\/h4>\n<p>Consumers are more prone to buying cannabis based on the THC content and visual and sensory evaluation as quality indicators for recreational use.<sup id=\"rdp-ebb-cite_ref-44\" class=\"reference\"><a href=\"#cite_note-44\">[44]<\/a><\/sup> It was speculated that high THC concentration would give a more desired effect; however, studies have shown that the effect is not based on the potency and is more complex. In one of the studies with 121 participants, half of them were provided with very high THC extracts (70% or 90% THC) and another half with cannabis flower (16% or 24% THC). However, it was found that the neurobehavior patterns were similar for both groups.<sup id=\"rdp-ebb-cite_ref-45\" class=\"reference\"><a href=\"#cite_note-45\">[45]<\/a><\/sup> Hence, it is necessary to provide consumer education about quality, and they should be involved in future regulation systems.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Law_enforcement_agencies\">Law enforcement agencies<\/span><\/h3>\n<p>Enforcement agencies also play an important role in cannabis regulation and enforcement across borders. However, current systems\/forensic labs are majorly focused on THC toxication in biological samples (breath, blood, urine).<sup id=\"rdp-ebb-cite_ref-46\" class=\"reference\"><a href=\"#cite_note-46\">[46]<\/a><\/sup> As a number of synthetic analogs have been developed, and with the natural variability of cannabis, these tests are unable to detect other psychoactive compounds.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Lack_of_standardized_extraction_and_refinement_methods\">Lack of standardized extraction and refinement methods<\/span><\/h3>\n<p>Different extraction methods have been used to prepare cannabis extracts. The quality and composition of any plant extract are highly dependent on the extraction process. Extraction solvents range from water, hydrocarbons (e.g., butane, pentane, hexane), alcohols (e.g., ethanol, isopropanol), <a href=\"https:\/\/www.limswiki.org\/index.php\/Supercritical_carbon_dioxide\" title=\"Supercritical carbon dioxide\" class=\"wiki-link\" data-key=\"451a3527eac02cf2490ed69495c0da3d\">supercritical carbon dioxide<\/a>, and many blends of these extractants. Cannabis compounds vary in polarity, molecular weight, and other properties that affect solubility in solvents that range in polarity. Extraction with water, a polar solvent, can be used to recover the entire trichome. Ethanol, with intermediate polarity, can recover flavonoids and pigments. Low-polarity solvents such as hydrocarbons do not dissolve chlorophyll and water. Supercritical carbon dioxide and mixed solvents can extract a wide range of compounds with similar low polarity. Once cannabinoids and associated molecules are extracted, they can be enriched and refined using short-path distillation, wiped film molecular distillation, and winterization.<sup id=\"rdp-ebb-cite_ref-47\" class=\"reference\"><a href=\"#cite_note-47\">[47]<\/a><\/sup> These different processes produce varied chemical compositions in final products. For example, cannabis extracts are labeled based on the cannabinoid content, but due to the different extraction techniques involved, the overall concentration of other chemical compounds is altered and, in turn, changes the biological activity of the cannabis extract.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Cannabinoid_and_terpenoid_stability\">Cannabinoid and terpenoid stability<\/span><\/h3>\n<p>Cannabinoids and terpenoids represent the major bioactive component in cannabis and are biosynthesized by specific enzymes. The overall chemical composition and concentration of these compounds differ by the plant\u2019s genetics, age, growing conditions, stage of maturity at harvest, drying, storage, extraction, and formulation methods. However, these compounds easily degrade during post-harvest storage and the activation of acidic cannabinoids. Plant genetics plays an important role in preserving the bioactive compound profile. By growing in a greenhouse with controlled conditions, a consistent chemical profile can be produced. Moreover, slight variations can significantly affect the ratio and synergistic effects among different compounds and can affect overall activity.<sup id=\"rdp-ebb-cite_ref-48\" class=\"reference\"><a href=\"#cite_note-48\">[48]<\/a><\/sup> Furthermore, if the cannabis flower is exposed to air and light for a prolonged period (not a controlled environment), acidic cannabinoids such as THC-A are oxidized to cannabinolic acid (CBN-A) and further converted to cannabinol (CBN). Moreover, CBN is reported as a weak psychoactive cannabinoid with mostly mild analgesic and anticonvulsant activity. Similarly, CBN can also be formed during the decarboxylation of THCA to THC.<sup id=\"rdp-ebb-cite_ref-:27_49-0\" class=\"reference\"><a href=\"#cite_note-:27-49\">[49]<\/a><\/sup> On the other hand, terpenoids are volatile compounds, and storage (temperature and time) greatly affects their concentration. Terpenoids may also decompose via oxidation, isomerization, polymerization, thermal rearrangement, and dehydrogenation.<sup id=\"rdp-ebb-cite_ref-50\" class=\"reference\"><a href=\"#cite_note-50\">[50]<\/a><\/sup> Concentration variations and byproduct formation have a negative effect on product quality and safety. Hence, the exact concentration of the cannabinoids and terpenes present in a food product must be disclosed (labeled), their stability enhanced (antioxidants), and the dosage guaranteed until expiry.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Lipid_oxidation_products\">Lipid oxidation products<\/span><\/h3>\n<p>Cannabis extracts are often sold in vegetable oil carriers. There are reports of the interaction of lipid oxidation products with cannabis extracts. The oxidation products include oxygenated terpenoids such as <a href=\"https:\/\/www.limswiki.org\/index.php\/Verbenol\" title=\"Verbenol\" class=\"wiki-link\" data-key=\"db62ceaf90fc2551e5cb2f56b1b0be3f\">verbenol<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Linalool\" title=\"Linalool\" class=\"wiki-link\" data-key=\"3ed6a40c8651815d2a6497093c015869\">linalool<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Terpineol\" title=\"Terpineol\" class=\"wiki-link\" data-key=\"e62d701ed727b953e853abd42539dfe8\">alpha-terpineol<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Terpinene\" title=\"Terpinene\" class=\"wiki-link\" data-key=\"48bd38bb4adbdcbef0845c16fb66b3aa\">terpinen-4-ol<\/a>, <a href=\"https:\/\/www.limswiki.org\/index.php\/Aldehyde\" title=\"Aldehyde\" class=\"wiki-link\" data-key=\"56bc67d22b9b0671a7a4a9db19a5b439\">aldehyde<\/a>, alcohols, and ketones. Natural terpenes can undergo photo-oxidation in the presence of light and singlet oxygen. The first products formed are unstable allylic hydroperoxides. The spontaneous rearrangement of these oxidized products produces alcohols that are often further oxidized to their respective aldehydes and ketones. For example, <a href=\"https:\/\/www.limswiki.org\/index.php\/Limonene\" title=\"Limonene\" class=\"wiki-link\" data-key=\"5ab53dd79515ab34e875774396d8828d\">limonene<\/a> degrades to trans- and cis-metha-2,8-dien-1-ol and trans- and cis-carveol during photo-oxidation.<sup id=\"rdp-ebb-cite_ref-51\" class=\"reference\"><a href=\"#cite_note-51\">[51]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-52\" class=\"reference\"><a href=\"#cite_note-52\">[52]<\/a><\/sup> These cannabis oils are activated by heating, which decarboxylates acidic cannabinoids to produce neutral cannabinoids. This heating mediates the formation of several \u201cex novo\u201d lipid breakdown products such as ketones and aldehydes and can significantly influence oil digestibility and stability. It was observed that the concentration of ketones and aldehydes was lower under refrigerated conditions compared to room temperatures. <a href=\"https:\/\/www.limswiki.org\/index.php\/Headspace_technology\" title=\"Headspace technology\" class=\"wiki-link\" data-key=\"d178e86e64b178f932249e5182ac868f\">Headspace<\/a>\u2013<a href=\"https:\/\/www.limswiki.org\/index.php\/Solid-phase_microextraction\" title=\"Solid-phase microextraction\" class=\"wiki-link\" data-key=\"dc34ed0f3381adc618caf7037e3a85b7\">solid-phase microextraction<\/a> (HS-SPME) coupled with GC-MS was used to profile volatile compounds to understand storage (six weeks) and temperature\u2019s effects on cannabis-containing oils.<sup id=\"rdp-ebb-cite_ref-:28_53-0\" class=\"reference\"><a href=\"#cite_note-:28-53\">[53]<\/a><\/sup> The formation of lipid oxidation products for cannabis macerated oils mostly depends on extraction method temperature, fatty acid composition (oil matrix of cannabis extract), and storage temperature. For example, medium-chain triglyceride oil is less susceptible to degradation compared to olive and hemp seed oils.<sup id=\"rdp-ebb-cite_ref-:28_53-1\" class=\"reference\"><a href=\"#cite_note-:28-53\">[53]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Structural_and_stereoisomers\">Structural and stereoisomers<\/span><\/h3>\n<p>There are several structural and stereoisomers reported for cannabinoids. Cannabinoids are made up of three moieties the isoprenyl residue, the resorcinyl core, and the sidechain.<sup id=\"rdp-ebb-cite_ref-54\" class=\"reference\"><a href=\"#cite_note-54\">[54]<\/a><\/sup> THC can theoretically exist as seven structural isomers, \u0394<sup>6a,10a<\/sup>-THC, \u0394<sup>6a,7<\/sup>-THC, \u0394<sup>7<\/sup>-THC, \u0394<sup>8<\/sup>-THC, \u0394<sup>10<\/sup>-THC, and \u0394<sup>9,11<\/sup>-THC. These isomers have the same molecular formula but different bonding arrangements around the double bond from C9-C10 across the terpene ring. Currently, no analytical method is available for these isomers except \u0394<sup>8<\/sup>-THC; the total THC content is calculated as combinations of \u0394<sup>8<\/sup>-THC, \u0394<sup>9<\/sup>-THC, and THCA. THC has two stereocenters and occurs as four stereoisomers: (\u2013) trans, (+)-trans, (\u2013)-cis, (+) cis. Only (\u2013) trans-\u0394<sup>9<\/sup>-THC occurs naturally in the plant in the form of \u0394<sup>9<\/sup>-THCA. Similarly, CBD occurs as two stereoisomers (\u2013) CBD and (+) CBD, in which (\u2013) enantiomer is a naturally occurring compound. These stereoisomers can be separated using chiral chromatography.<sup id=\"rdp-ebb-cite_ref-:29_55-0\" class=\"reference\"><a href=\"#cite_note-:29-55\">[55]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-56\" class=\"reference\"><a href=\"#cite_note-56\">[56]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Adulteration\">Adulteration<\/span><\/h3>\n<p>Cannabis has been modified or diluted with different types of adulterants. Adulteration might be performed to extend cannabis extracts with materials for economic gain, enhance the efficacy of low-quality cannabis, or mitigate cannabis\u2019 side effects. Cannabis has also been mixed with synthetic analogs (cannabimimetics) termed Spice\/K2 products. These analogs were initially synthesized to study the endocannabinoid system and develop therapeutically effective compounds. However, they have become subject to drug abuse. The number of these analogs is growing, and if some of them became regulated, they were replaced by another analog in the market to satisfy demand. LC-MS, GC-MS, and direct analysis in real-time (DART)-MS have been used to identify and measure these compounds, but the limited information regarding their chromatographic\/spectral information provides some challenges.<sup id=\"rdp-ebb-cite_ref-57\" class=\"reference\"><a href=\"#cite_note-57\">[57]<\/a><\/sup> Adulterating cannabis with tobacco, calamus, or other cholinergic agents can increase the effects of cannabis or reduce adverse effects. There was a report of admixtures of cannabis and calamus root to reduce the adverse effects of cannabis. It was reported that beta-asarone in calamus roots blocks acetylcholinesterase, which diminishes cannabimimetic effects.<sup id=\"rdp-ebb-cite_ref-58\" class=\"reference\"><a href=\"#cite_note-58\">[58]<\/a><\/sup> CBD can convert into THC in an acidic environment under laboratory conditions. In addition, terpenes can be converted to toxic degradants such as benzene (carcinogen) and methacrolein.<sup id=\"rdp-ebb-cite_ref-:29_55-1\" class=\"reference\"><a href=\"#cite_note-:29-55\">[55]<\/a><\/sup> There were also reports of the adulteration of cannabis oil using pine rosin, NMR, and ESI-MS to identify pine rosin ingredients such as abietic and other resin acids. This can lead to inhalation toxicity in e-cigarettes and vaping products.<sup id=\"rdp-ebb-cite_ref-59\" class=\"reference\"><a href=\"#cite_note-59\">[59]<\/a><\/sup> Similarly, vitamin E acetate was used as a major diluent in illicit cannabis vaporizer cartridges, detected by untargeted analysis (GC-MS and LC-MS\/MS).<sup id=\"rdp-ebb-cite_ref-:30_60-0\" class=\"reference\"><a href=\"#cite_note-:30-60\">[60]<\/a><\/sup>\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Authentomics\">Authentomics<\/span><\/h2>\n<p>Authentomics analysis can provide verified analysis as a food screener that can protect consumers from fraud. Figure 3 summarizes the schematic of authentomics.\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig3_Jadhav_IntJofMolSci23_24-9.png\" class=\"image wiki-link\" data-key=\"6d8704f3ea0ee6e54053f0c7ccbc24e1\"><img alt=\"Fig3 Jadhav IntJofMolSci23 24-9.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/8\/83\/Fig3_Jadhav_IntJofMolSci23_24-9.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 3.<\/b> Schematic of authentomics as a food screener expecting a standardized platform.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<h3><span class=\"mw-headline\" id=\"Lessons_from_the_food_industry\">Lessons from the food industry<\/span><\/h3>\n<p>In the last few years, there has been growing interest from consumers, producers, and food authorities for agro-food product quality and safety through the food chain from farm to fork. There are instances of fraudulent acts motivated by economic returns. Typical fraud can include dilution, tampering, adulteration, or the misrepresentation of food, food ingredients, or food packaging. Examples include spirit adulteration with methanol in place of ethanol. Such action led to the death of 38 people in the Czech Republic.<sup id=\"rdp-ebb-cite_ref-61\" class=\"reference\"><a href=\"#cite_note-61\">[61]<\/a><\/sup> Similarly, in China, milk was adulterated with melamine to increase the nitrogen content. Nitrogen content measurements have been used in official methods as a surrogate for protein content. The unscrupulous addition of a high nitrogen content compound such as melamine to food prior to testing would indicate a higher nitrogen content and consequently be falsely interpreted as a higher protein in the product.<sup id=\"rdp-ebb-cite_ref-:31_62-0\" class=\"reference\"><a href=\"#cite_note-:31-62\">[62]<\/a><\/sup>\n<\/p><p>Food and food byproducts are made up of a complex matrix of various compounds\/metabolites in different concentrations. They are generated from biological materials handled through supply chains that can be complex, involving cultivation, storage, shipping, processing, packaging, and distribution. An authentic food product is \u201ca food product where there is a match between the actual food product characteristics and the corresponding food product claims; when the food product actually is what the claim says that is.\u201d<sup id=\"rdp-ebb-cite_ref-63\" class=\"reference\"><a href=\"#cite_note-63\">[63]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-64\" class=\"reference\"><a href=\"#cite_note-64\">[64]<\/a><\/sup> In a discussion paper on food integrity and food authenticity by the working group of the <i>Codex Alimentarius<\/i> Commission, food authenticity is described as \u201cthe quality of a food to be genuine and undisputed in its nature, origin, identity, and claims, and to meet expected properties\u201d; food fraud is described as \u201cany deliberate action of businesses or individuals to deceive others in regard to the integrity of food to gain undue advantage\u201d; and food integrity is described as \u201cthe status of a food product where it is authentic and not altered or modified with respect to expected characteristics including, safety, quality, and nutrition.\u201d<sup id=\"rdp-ebb-cite_ref-65\" class=\"reference\"><a href=\"#cite_note-65\">[65]<\/a><\/sup> \n<\/p><p>The authentomics approach has been applied in the analysis of foods including wine, honey, juice, beer, olive oil, milk, and coffee. Food products are considered authentic if manufactured with proper quality procedures and all the chemical components are consistent. With proper processing, food should have a reproducible chemical composition. Food authentication has attracted interest among stakeholders such as food producers, importers, exporters, consumers, regulatory agencies, law enforcement, and the scientific community. Hence, a comprehensive approach is necessary to characterize the molecular constituents of food. Authentomics is not only related to product quality but also safety and health. Hence, rapid and robust analytical methods, reliable biomarkers, and big data analysis are important tools to overcome food fraud. There are strict regulations for food safety and authenticity across the world. The U.S. FDA developed the Food Safety Modernization Act (FSMA) to ensure a safe food supply by preventing contamination.<sup id=\"rdp-ebb-cite_ref-66\" class=\"reference\"><a href=\"#cite_note-66\">[66]<\/a><\/sup> Similarly, the European Food Safety Authority (EFSA) evaluates the risk associated with the food chain.<sup id=\"rdp-ebb-cite_ref-67\" class=\"reference\"><a href=\"#cite_note-67\">[67]<\/a><\/sup>\n<\/p><p>The knowledge of food authentomics could improve the analysis of cannabis products in several ways. Firstly, authentomics involves a comprehensive, non-targeted analysis of a food product, considering all its molecular constituents. This approach could be applied to cannabis products to provide a more complete picture of their composition, including the concentration of bioactive metabolites and any contaminants. This could help regulators and researchers to better understand and regulate the complex chemistry of cannabis products and to assure their safety and efficacy. Secondly, the use of reliable biomarkers and big data analysis could help to verify the authenticity of commercialized cannabis products by comparing their molecular profiles to those of historically authenticated samples. This could be particularly important in the cannabis industry, where there have been instances of fraudulent activities motivated by economic returns. Overall, the application of authentomics to the analysis of cannabis products could provide a more robust and reliable approach to ensuring product quality, safety, and authenticity and could help to protect consumers from the potential harm of counterfeit products.\n<\/p><p>In the case of cannabis products, the application of authentomics knowledge can also play a crucial role in improving the analysis and understanding of the hedonic qualities of these products. The authenticity of the chemical composition of the product can significantly impact sensory and hedonic attributes such as aroma, flavor, and potency. For instance, the presence of contaminants or unauthorized additives can lead to negative effects on the sensory experience of the product. On the other hand, the ability to accurately determine the chemical composition of the product can also help to understand the relationship between its chemical constituents and the sensory and hedonic qualities. This knowledge can assist in developing consistent and high-quality cannabis products that meet the expectations and preferences of consumers.\n<\/p>\n<h3><span id=\"rdp-ebb-Identification\u2013Conformity\u2013Quantification\"><\/span><span class=\"mw-headline\" id=\"Identification.E2.80.93Conformity.E2.80.93Quantification\">Identification\u2013Conformity\u2013Quantification<\/span><\/h3>\n<p>One of the challenges in the food industry is to detect unexpected adulterants. For example, it was unexpected that melamine would be used as an adulterant in milk.<sup id=\"rdp-ebb-cite_ref-:31_62-1\" class=\"reference\"><a href=\"#cite_note-:31-62\">[62]<\/a><\/sup> Hence, it is better to develop techniques to analyze both known and unknown (novel) compounds in the food components through targeted and untargeted analyses, respectively. In recent years, progress in analytical techniques has improved food authenticity and traceability. Some techniques include liquid and gas chromatography coupled with mass analyzers, DNA-based techniques, sensor techniques (e.g., electronic tongues, electronic noses), and other spectroscopic techniques (e.g., NMR, vibrational, fluorescence). Spectroscopic techniques can provide non-destructive platforms for non-invasive analyses that are rapid, easy to operate, and can be applied both for routine analysis and in food control laboratories in the industry.<sup id=\"rdp-ebb-cite_ref-68\" class=\"reference\"><a href=\"#cite_note-68\">[68]<\/a><\/sup> The two primary analysis approaches of targeted and non-targeted analyses will prove important in the characterization of cannabis products.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Targeted_analyses\">Targeted analyses<\/span><\/h4>\n<p>Targeted analyses (TA) are used where metabolites are known, or specific biomarker compounds can be used to assess the purity of authentic food. For targeted analysis, it is important to have analytical procedures validated. Some examples include anthocyanin derivative analysis to determine red wine age using an HPLC-MS\/MS and CIELAB approach for 234 different vintages of red wine. Red wine aging is closely related to changes in anthocyanin composition and chromatic characteristics, regardless of environmental factors, variety, and winemaking technique. The anthocyanin stabilities were: pinotins > flavanyl-pyranoanthocyanins, vitisin A > monomeric anthocyanin, direct anthocyanin-flavan-3-ols condensation products > vitisin B, anthocyanin ethyl-linked flavan-3-ols products. Vitisin A, pinotin, and flavanyl-pyranoanthocyanins contributed significantly to each wine\u2019s prolonged aging color.<sup id=\"rdp-ebb-cite_ref-69\" class=\"reference\"><a href=\"#cite_note-69\">[69]<\/a><\/sup> In another example of targeted analysis, polyphenol compounds in seeds such as flax, chia, and sesame were used as markers for authenticity in bakery products. Polyphenols were analyzed by HPLC-DAD-ESI-qTOF (MS\/MS) in different seeds and a chemometric approach was used to classify 12 compounds that acted as markers for discrimination among samples. The concentration and presence of lignans and hydroxycinnamic acid allowed discrimination among groups. The proposed markers were stable during baking and could be used to authenticate bakery products and raw materials containing these seeds.<sup id=\"rdp-ebb-cite_ref-70\" class=\"reference\"><a href=\"#cite_note-70\">[70]<\/a><\/sup>\n<\/p><p>Targeted analyses of cannabis and food products are mostly similar. The analysis of either matrix involves identifying specific compounds of interest and measuring their concentration. In both cases, the goal is to provide accurate information regarding product composition. The methods used to analyze the compounds of interest in food products and cannabis products can differ, as the latter may require more specialized techniques due to the presence of psychoactive compounds with unique properties. Despite these differences, the principles of targeted analysis are the same, as they provide a detailed and accurate picture of product composition.\n<\/p>\n<h4><span class=\"mw-headline\" id=\"Non-targeted_analysis\">Non-targeted analysis<\/span><\/h4>\n<p>The analysis of food ingredients can produce chemical fingerprints. The chemical composition (fingerprint) is an excellent indicator of origin, authenticity, quality, and\/or adulteration. Fingerprint variations may indicate changes in the metabolite levels caused by different factors, including the geographical origin of the raw materials, production systems, adulteration, or storage conditions. A database of the fingerprint data of known food products is an essential tool in determining authenticity. After the database is developed, the authenticity of food can be affirmed by comparing a fingerprint of that food with an authentic food fingerprint from the database. These chemical fingerprints are obtained using various analytical technologies, which are selected based on the food and attributes. For example, a non-targeted analysis of virgin olive oils (i.e., extra virgin olive oil, EVOO; virgin olive oil, VOO; lampante olive oil, LOO) was performed by flash GC. A training set of 331 representative samples was collected\u2014representing different harvesting processes, geographical origins, sensory attributes, and olive oil cultivars\u2014and analyzed. The raw data collected from GC fingerprinting of the volatile fractions were interpreted using multivariate analysis (PLSDA). This approach provided a superior alternative to sensory panels, increasing efficiency and rapid screening for the classification of olive oil by quality.<sup id=\"rdp-ebb-cite_ref-71\" class=\"reference\"><a href=\"#cite_note-71\">[71]<\/a><\/sup> This type of analysis can be applied in any laboratory or industry as a quality control measure. \n<\/p><p>Another example includes the application of Fourier transform near-infrared spectroscopy (FT-NIR), along with chemometrics, to discriminate between white truffles <i>Tuber borchii<\/i> and <i>T. magnatum<\/i>, and black truffles <i>T. aestivum<\/i>, <i>T. indicum<\/i>, and <i>T. melanosporum<\/i>. These truffles are sold at a high price due to the unique aroma and taste emitted from the fruiting bodies. For example, <i>T. magnatum<\/i> price ranges between 3,000 and 5,000 \u20ac\/kg, and <i>T. melanosporum<\/i> costs 700\u20131200 \u20ac\/kg. The large price difference increases the chances of the fraudulent misrepresentation of species of similar morphological appearance. Lyophilized truffle samples are rich in amino acids and dietary fiber. The selective bands observed for proteins and amino acids are at 6,667 cm<sup>\u22121<\/sup> for N-H stretching bands. Furthermore, N-H bands at 4859 cm<sup>\u22121<\/sup> and 4600 cm<sup>\u22121<\/sup> were observed for amide groups. In this study, 75 samples from different geographical origins and harvest years were analyzed using FT-NIR. PCA discrimination afforded greater than 99% classification accuracy. In addition, an accuracy of >83% was achieved for differentiation between Italian and non-Italian <i>T. magnatum<\/i> samples. FT-NIR provided a simple, cost-effective, reliable, easy-to-handle solution to discriminate and authenticate truffle species.<sup id=\"rdp-ebb-cite_ref-72\" class=\"reference\"><a href=\"#cite_note-72\">[72]<\/a><\/sup>\n<\/p><p>The non-targeted analysis of cannabis and food products share similarities in that this approach is designed to understand a sample\u2019s chemical composition comprehensively. A non-targeted analysis does not focus on pre-selected compounds and instead quantifies all measurable compounds present. This approach provides a more complete picture of the sample by detecting both known and unknown compounds.\n<\/p><p>However, there are also differences in the non-targeted analysis of cannabis products and food products. The complexity of the chemical composition of cannabis products is often more significant compared to food products, as they contain numerous compounds, including cannabinoids, terpenes, flavonoids, and residual solvents. This complexity can make the non-targeted analysis of cannabis products more challenging than food products. Additionally, the regulations and legal considerations surrounding the analysis of cannabis products are different from food products, and as a result, the methods used for their analysis may also differ.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Food_metabolome_databases\">Food metabolome databases<\/span><\/h3>\n<p>There are several public-domain food metabolome databases available for comparisons, with known and unknown metabolites present in food and food components. These databases are important tools for biomarker discovery, clinical chemistry, metabolomics, and general education. Some examples include the Human Metabolome Database (HMDB) containing 114,265 human metabolites, as well as compounds found in common foods, as these are present in the human body prior to metabolism.<sup id=\"rdp-ebb-cite_ref-73\" class=\"reference\"><a href=\"#cite_note-73\">[73]<\/a><\/sup> The food database provides information on macronutrients and micronutrients, including compounds that contribute to food color, flavor, texture, and aroma. There are >28,000 metabolites reported in the database. Included is information regarding compound nomenclature, structure, chemical class, physico-chemical data, food source, and concentration in various foods.<sup id=\"rdp-ebb-cite_ref-74\" class=\"reference\"><a href=\"#cite_note-74\">[74]<\/a><\/sup> \n<\/p><p>Another online database is Phytohub, which provides information regarding dietary phytochemicals and their human and animal metabolites. It includes secondary plant metabolites such as polyphenols, terpenoids, and alkaloids, and is designed to be used in nutritional metabolomics. It includes other information such as food source, molecular formula, monoisotopic mass, and MS\/MS fragments.<sup id=\"rdp-ebb-cite_ref-75\" class=\"reference\"><a href=\"#cite_note-75\">[75]<\/a><\/sup> The Phenol-Explorer database explores foods\u2019 polyphenol content. The database contains > 35,000 content values for 500 different polyphenols in over 400 foods. The polyphenol data before and after processing were collected from peer-reviewed publications. The major data belong to fruit and vegetable food groups and their polyphenolic compounds. Cereals and oils are poorly represented in the database.<sup id=\"rdp-ebb-cite_ref-76\" class=\"reference\"><a href=\"#cite_note-76\">[76]<\/a><\/sup> The yeast metabolome, which consists of the metabolite found in or produced by <i>Saccharomyces cerevisiae<\/i> (also known as Baker\u2019s yeast or Brewer\u2019s yeast), is also available as a database. This database is useful for the study of the origin and fate of yeast metabolites in a number of food products such as wine, bread, and beer, which are produced by yeast fermentation.<sup id=\"rdp-ebb-cite_ref-77\" class=\"reference\"><a href=\"#cite_note-77\">[77]<\/a><\/sup>\n<\/p><p>These metabolome databases are important for identifying different metabolites in the food matrix. Initially, the profile of the chemical fingerprinting of representative samples should be created. The profile can then be compared with a large database of spectra for known authentic samples. For example, MetaboLights<sup id=\"rdp-ebb-cite_ref-78\" class=\"reference\"><a href=\"#cite_note-78\">[78]<\/a><\/sup> is an open-access online repository where spectral, structural, and chromatographic data are shared for cross-species and cross-technique analysis. The database also contains information regarding the biological roles, concentration, origin, and metabolic pathways of metabolites. In some instances, raw experimental data from different experiments are included. The user studies in the database are labeled with a unique identifier for publication reference.<sup id=\"rdp-ebb-cite_ref-79\" class=\"reference\"><a href=\"#cite_note-79\">[79]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-80\" class=\"reference\"><a href=\"#cite_note-80\">[80]<\/a><\/sup> These raw data can potentially be used for external validation and aid in the comparison of results from different laboratories and identify robust markers for detecting food fraud. This can help with quality control monitoring and testing for determining purity and authenticity.\n<\/p><p>The development of a comprehensive cannabis metabolome database and standard methods that approach the detail and quality used in the authentomics analysis of food products is essential for ensuring the quality, safety, and efficacy of cannabis products. As the legal landscape for cannabis products continues to evolve, it is important to have robust analytical methods in place that can accurately and reliably assess the composition of these products. The use of a cannabis metabolome database and standardized methods will allow for the consistent and reproducible characterization of the molecular constituents of cannabis, which will be crucial for both regulatory compliance and consumer confidence in the safety and quality of these products. By incorporating the advances made in the authentomics analysis of food products, the cannabis industry can ensure that its products are of the highest quality and that consumers can have confidence in their safety and efficacy.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Future_directions\">Future directions<\/span><\/h2>\n<h3><span class=\"mw-headline\" id=\"Non-targeted_analysis_2\">Non-targeted analysis<\/span><\/h3>\n<p>Cannabis is a complex chemical matrix composed of various types of secondary metabolites, including cannabinoids, terpenoids, flavonoids, and phenolic compounds. The plant is available in many different forms, including dried flower; pre-rolls; seeds; and vapes; extracts such as oils, capsules, resin, rosin, isolates, distillates, shatter, wax, hash, and kief; edibles such as chocolates, gummies, baked goods, confectionery, and beverages; and topicals such as creams, lotions, and bath salts. Currently, most targeted analysis methods for cannabis focus on quantifying specific compounds such as cannabinoids, terpenes, and contaminants such as residual solvents, pesticides, heavy metals, microbial contaminants, mold, bacteria, and yeast. However, only a limited number of non-targeted analysis methods have been developed, and they mostly lack validation and are performed in-house.\n<\/p><p>Non-targeted analysis provides a significant advantage over targeted analysis in terms of identifying novel compounds or contaminants. For instance, the non-targeted approach can help identify contaminants such as vitamin E acetate, which was not known before and was used as an adulterant in vape cartridges.<sup id=\"rdp-ebb-cite_ref-:30_60-1\" class=\"reference\"><a href=\"#cite_note-:30-60\">[60]<\/a><\/sup> By providing a comprehensive view of the chemical composition of cannabis products, non-targeted analysis can help ensure their safety and quality for consumption. Thus, there is a growing need for a cannabis metabolome database and standard methods that are as detailed and high-quality as those used in the authentomics analysis of food products.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Standardized_analytical_procedures\">Standardized analytical procedures<\/span><\/h3>\n<p>here should be standardized analytical procedures for the analysis of compounds in cannabis extracts. Such analyses help to avoid analytical variations and can lead to using standard protocols across other labs. <i><a href=\"https:\/\/www.limswiki.org\/index.php\/United_States_Pharmacopeia\" title=\"United States Pharmacopeia\" class=\"wiki-link\" data-key=\"3573ab227f4d5512aea2ababa79f68f8\">United States Pharmacopeia<\/a><\/i> (<i>USP<\/i>) and the Association of Official Analytical Chemists (AOAC) have developed methods for cannabinoid analysis.<sup id=\"rdp-ebb-cite_ref-:32_81-0\" class=\"reference\"><a href=\"#cite_note-:32-81\">[81]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-82\" class=\"reference\"><a href=\"#cite_note-82\">[82]<\/a><\/sup> These standard methods will help industry partners and testing laboratories follow these standard procedures, validate their results, and use them for in-house testing. It will help to increase consumer confidence regarding labeling claims by the manufacturer.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Experimental_flow_design\">Experimental flow design<\/span><\/h3>\n<p>A general experimental workflow is shown below (Figure 4).\n<\/p><p><br \/>\n<a href=\"https:\/\/www.limswiki.org\/index.php\/File:Fig4_Jadhav_IntJofMolSci23_24-9.png\" class=\"image wiki-link\" data-key=\"d6217ed29413e660295ad634f982b721\"><img alt=\"Fig4 Jadhav IntJofMolSci23 24-9.png\" src=\"https:\/\/s3.limswiki.org\/www.limswiki.org\/images\/a\/ac\/Fig4_Jadhav_IntJofMolSci23_24-9.png\" decoding=\"async\" style=\"width: 100%;max-width: 400px;height: auto;\" \/><\/a>\n<\/p>\n<div style=\"clear:both;\"><\/div>\n<table style=\"\">\n<tbody><tr>\n<td style=\"vertical-align:top;\">\n<table border=\"0\" cellpadding=\"5\" cellspacing=\"0\" style=\"\">\n\n<tbody><tr>\n<td style=\"background-color:white; padding-left:10px; padding-right:10px;\"><blockquote><p><b>Fig. 4.<\/b> Schematic of authentomics as a food screener expecting a standardized platform.<\/p><\/blockquote>\n<\/td><\/tr>\n<\/tbody><\/table>\n<\/td><\/tr><\/tbody><\/table>\n<p>The first important step is to design experiments involving a choice of samples to collect, the sample-handling procedure, detection methods, and expected outcomes. The second step requires sample handling with proper storage and temperature to mitigate the degradation of compounds. Sample preparation starts with harvesting (flower samples) and involves quenching, homogenization, and storage. For example, cannabinoids and terpenes are susceptible to heat and light and can easily convert to other byproducts. It is important to obtain representative samples of the batch to avoid any variation due to the heterogeneity of the cannabis matrix. Based on the detection methods, various solvents can be used for the extraction of metabolites. It is better to reduce the number of extraction steps to avoid any metabolite loss. This might require an individual\/combination of polar and non-polar solvents to extract different metabolites from cannabis samples. One option is the application of deuterated solvents such as deuterated chloroform or methanol to extract prior to NMR analysis. Non-targeted methods generate very large amounts of data and require multivariate analysis tools such as PCA, PLSDA, and hierarchical cluster analysis (HCA) to discriminate among samples. It is useful to have access to a database to store information and share it among various stakeholders. Finally, an analytical method should be appropriately validated and tested among different laboratories for variations.<sup id=\"rdp-ebb-cite_ref-83\" class=\"reference\"><a href=\"#cite_note-83\">[83]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-84\" class=\"reference\"><a href=\"#cite_note-84\">[84]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Open-access_structure_databases\">Open-access structure databases<\/span><\/h3>\n<p>A chemical structure database containing metadata and spectral information is necessary to authenticate samples. The development of such a database requires open access to data sharing among various shareholders. The database must be clearly defined for its intended use and end-users. Implementing such databases is resource-intensive and includes defining the database scope, the collection of authentic and representative samples, sample preparation, data acquisition and validation, database storage, accessibility, and data validity. The supply chain risk assessment must be performed during database planning to determine the highest risk of fraud; for example, for dried herbal cannabis samples, the risk is at the geographical origin for the identification and traceability of chemovars, and for the finished products (edibles, concentrates) the metabolite profiling must be performed to determine any variability. The samples in the database should be authentic to be included.<sup id=\"rdp-ebb-cite_ref-85\" class=\"reference\"><a href=\"#cite_note-85\">[85]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Authentic_standards\">Authentic standards<\/span><\/h3>\n<p>An important consideration should be given to obtaining authentic standards for analysis. Due to the former stigma and the legal status of cannabis, research into its analysis has faced major roadblocks, especially in acquiring standards. There are 13 USP quality standards available for cannabinoids.<sup id=\"rdp-ebb-cite_ref-:32_81-1\" class=\"reference\"><a href=\"#cite_note-:32-81\">[81]<\/a><\/sup> The availability of authentic standards ensures the availability of a foundation from which to ascertain the identity, purity, and potency of cannabis and reduces the chances of adulteration. As the number of known metabolites increases, more resources must be allotted to authenticate standards for identification and quantification. Standard purity and storage conditions should be emphasized, as these standards might be degraded by light and heat. Standards should be tested\/accessed before analysis to confirm reproducible and accurate results from samples.<sup id=\"rdp-ebb-cite_ref-86\" class=\"reference\"><a href=\"#cite_note-86\">[86]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Public-private_partnership\">Public-private partnership<\/span><\/h3>\n<p>It is important that both public (i.e, government agencies, regulatory bodies, and academic institutions) and private (i.e., industry and testing labs) stakeholders work together in developing and sharing data and experimental approaches. Most targeted and non-targeted analyses have been developed and validated \u201cin-house,\u201d with little effort devoted to inter-laboratory reproducibility. The sources of variation in the laboratory can occur at the sampling, sample preparation, instrumentation, and data mining\/handling stages. This can be true for the analytical variation of different personnel in the same laboratory.<sup id=\"rdp-ebb-cite_ref-:7_17-1\" class=\"reference\"><a href=\"#cite_note-:7-17\">[17]<\/a><\/sup> Emerald Scientific has developed The Emerald Test Inter-Laboratory Comparison Proficiency Test (ILC\/PT) Program for cannabis and hemp testing, with all proficiency tests being produced by ISO\/IEC 17043-accredited manufacturers. Samples are distributed to different labs, and the results are submitted through an electronic data portal. The individual labs receive results from both their own lab and other peer labs for comparison. Labs that perform within a specific tolerance in each proficiency test category established by the accredited provider receive the Emerald Badge.<sup id=\"rdp-ebb-cite_ref-87\" class=\"reference\"><a href=\"#cite_note-87\">[87]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Markers_for_the_standardization_of_herbal_drugs_and_extracts\">Markers for the standardization of herbal drugs and extracts<\/span><\/h3>\n<p>Markers are essential for the identification of product variation and authentication and for determining quality. One of the markers used to reflect the age of cannabis products is CBN, which was formed by different pathways, such as the decarboxylation of CBNA, which originates from THCA oxidation or the oxidation of \u0394<sup>9<\/sup>-THC. CBN is present in very low amounts in fresh tinctures (cannabis extract) or dry cannabis flowers. Other stability markers have also been suggested, such as THC<sub>tot<\/sub> (THC +THCA + CBN) or CAN<sub>tot<\/sub> (total acidic + total neutral cannabinoids), as well as ratio markers of THCA\/THC, CBGA\/CBG.<sup id=\"rdp-ebb-cite_ref-:27_49-1\" class=\"reference\"><a href=\"#cite_note-:27-49\">[49]<\/a><\/sup> Moreover, \u03b1-terpinolene is a genetic marker that can distinguish between two gene pools for breeding low THC varieties and may be related to the geographical origin of cannabis materials.<sup id=\"rdp-ebb-cite_ref-:28_53-2\" class=\"reference\"><a href=\"#cite_note-:28-53\">[53]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-88\" class=\"reference\"><a href=\"#cite_note-88\">[88]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Minor_cannabinoids_and_their_pharmacology\">Minor cannabinoids and their pharmacology<\/span><\/h3>\n<p>There has been more focus given to THC and CBD due to their initial discovery and bioactivity, but cannabis contains more than 100 cannabinoids. It will be useful to understand the pharmacological activity of minor cannabinoids. These compounds should be synthesized (less concentration in cannabis plants) and tested for their biological activity. Most other cannabinoids such as CBDA, \u2206<sup>9<\/sup>-THCV, CBDV, CBG, and CBC are non-intoxicating. Some have great potential in medicinal applications and will help in our understanding of interactions among the compounds present in cannabis.<sup id=\"rdp-ebb-cite_ref-89\" class=\"reference\"><a href=\"#cite_note-89\">[89]<\/a><\/sup><sup id=\"rdp-ebb-cite_ref-90\" class=\"reference\"><a href=\"#cite_note-90\">[90]<\/a><\/sup>\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Personalized_medicine_and_pharmacometabolomics\">Personalized medicine and pharmacometabolomics<\/span><\/h3>\n<p>The endocannabinoid system (ECS) of individuals varies considerably, leading to significant differences in the responses of individuals to cannabinoids. Progress in genomics might elucidate the role of genetic variability in response to cannabis. It is possible that genomic sequencing could help to understand differences in individual responses to cannabinoid therapy. Personalized approaches will be developed in the future that target therapies for individuals with specific ECS genetic variants and\/or individuals expressing biomarkers.\n<\/p>\n<h2><span class=\"mw-headline\" id=\"Conclusions\">Conclusions<\/span><\/h2>\n<p>This study summarized authentomics using metabolomics to confirm the authenticity of cannabis, which is effective in medical and health promotion. This study of cannabis\u2019 big data analysis through authentomics demonstrates the quantitative analysis of commercially available cannabis product ingredients and patient samples. Mechanisms to certify cannabis ingredients are being developed, but performing these analyzes requires a global implementation of an auxiliary system that generates reliable data and verifies authenticity. The authentomics approach to food analytics, which is currently being pioneered, provides an international sentry system, including infrastructure, an approved ISO method for numerous foods, and a software and hardware framework to apply authentomics to any food product. It is designed to augment or replace targeted analysis by applying this approach to cannabis authentomics. The future development of authentomics and targeted analytics services for cannabis could be coordinated with the world\u2019s leading authentomics instrument and data analytics providers. Therefore, authentomics platform technology should be implemented into the cannabis quality system to meet the ISO standards verified by cannabis\u2019 integrated database design and construction. This authentomics platform technology would meet the needs of the cannabis industry to provide a robust analysis of target substances while collecting information that would capture currently intangible aspects of cannabis chemistry. The combination of targeted and untargeted analysis is essential to monitor the complex chemistry of cannabis products. Untargeted approaches require the use of big data to capture variability that is otherwise dismissed as unknown. Cannabis analysis is, therefore, much like that of food, requiring empirical knowledge of the concentration of regulated components and more subjective knowledge that would relate to the experience of the consumer. Therefore, this review combines the inside knowledge of the cannabis industry with the latest applications of the non-targeted analysis of plant materials.\n<\/p>\n<h2><span id=\"rdp-ebb-Abbreviations,_acronyms,_and_initialisms\"><\/span><span class=\"mw-headline\" id=\"Abbreviations.2C_acronyms.2C_and_initialisms\">Abbreviations, acronyms, and initialisms<\/span><\/h2>\n<ul><li><b>AOAC<\/b>: Association of Official Analytical Chemists<\/li>\n<li><b>CBC<\/b>: cannabichromene<\/li>\n<li><b>CBCA<\/b>: cannabichromenic acid<\/li>\n<li><b>CBCV<\/b>: cannabidivarin<\/li>\n<li><b>CBCVA<\/b>: cannabichromevarinic acid<\/li>\n<li><b>CBD<\/b>: cannabidiol<\/li>\n<li><b>CBDA<\/b>: cannabidiolic acid<\/li>\n<li><b>CBDB<\/b>: cannibidibutol<\/li>\n<li><b>CBDV<\/b>: cannabichromevarin<\/li>\n<li><b>CBDVA<\/b>: cannabidivarinic acid<\/li>\n<li><b>CBE<\/b>: cannabielsoin<\/li>\n<li><b>CBG<\/b>: cannabigerol<\/li>\n<li><b>CBGA<\/b>: cannabigerolic acid<\/li>\n<li><b>CBN<\/b>: cannabinol<\/li>\n<li><b>COSY<\/b>: correlation spectroscopy<\/li>\n<li><b>ECS<\/b>: endocannabinoid system<\/li>\n<li><b>EFSA<\/b>: European Food Safety Authority<\/li>\n<li><b>ESI-TOF-MS<\/b>: electrospray-ionization time-of-flight mass spectrometry<\/li>\n<li><b>FDA<\/b>: Food and Drug Administration<\/li>\n<li><b>FID<\/b>: flame ionization detector<\/li>\n<li><b>FSMA<\/b>: Food Safety Modernization Act<\/li>\n<li><b>FT-NIR<\/b>: Fourier transform near-infrared spectroscopy<\/li>\n<li><b>GC<\/b>: gas chromatography<\/li>\n<li><b>GCxGC<\/b>: comprehensive two-dimensional gas chromatography<\/li>\n<li><b>H NMR<\/b>: proton nuclear magnetic resonance<\/li>\n<li><b>HCA<\/b>: hierarchical cluster analysis<\/li>\n<li><b>HCARS<\/b>: hyperspectral coherent anti-Stokes Raman scattering<\/li>\n<li><b>HMBC<\/b>: heteronuclear multiple bond correlation<\/li>\n<li><b>HMDB<\/b>: Human Metabolome Database<\/li>\n<li><b>HPLC<\/b>: high-performance liquid chromatography<\/li>\n<li><b>HR-FABMS<\/b>: high-resolution fast atom bombardment mass spectrometry<\/li>\n<li><b>HRMS\/MS<\/b>: high-resolution mass spectrometry<\/li>\n<li><b>HS-SPME<\/b>: headspace\u2013solid-phase microextraction<\/li>\n<li><b>IR<\/b>: infrared<\/li>\n<li><b>ISO<\/b>: International Organization for Standardization<\/li>\n<li><b>LC-QTOF<\/b>: liquid chromatography quadrupole time-of-flight<\/li>\n<li><b>LDA<\/b>: linear discriminant analysis<\/li>\n<li><b>MS<\/b>: mass spectrometry<\/li>\n<li><b>MS\/MS<\/b>: tandem mass spectrometry<\/li>\n<li><b>NMR<\/b>: nuclear magnetic resonance<\/li>\n<li><b>PCA<\/b>: principal component analysis<\/li>\n<li><b>PLSDA<\/b>: partial least squares discriminant analysis<\/li>\n<li><b>RT-PCR<\/b>: real-time polymerase chain reaction<\/li>\n<li><b>SHS<\/b>: static headspace sampler<\/li>\n<li><b>STELDI<\/b>: sorptive tape-like extraction coupled with laser desorption ionization<\/li>\n<li><b>TA<\/b>: targeted analysis<\/li>\n<li><b>TCOSY<\/b>: total COSY<\/li>\n<li><b>TD-IMS<\/b>: thermal desorption ion mobility spectrometry<\/li>\n<li><b>THC<\/b>: tetrahydrocannabinol<\/li>\n<li><b>THCA<\/b>: tetrahydrocannabinolic acid<\/li>\n<li><b>THCV<\/b>: tetrahydrocannabivarin<\/li>\n<li><b>UHPLC<\/b>: ultra-high-performance liquid chromatography<\/li>\n<li><i><b>USP<\/b><\/i>: <i>United States Pharmacopeia<\/i><\/li>\n<li><b>UV-C<\/b>: ultraviolet-C<\/li><\/ul>\n<h2><span class=\"mw-headline\" id=\"Acknowledgements\">Acknowledgements<\/span><\/h2>\n<p>Academic support for the research project was obtained from the Team Phat research group.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Author_contributions\">Author contributions<\/span><\/h3>\n<p>Conceptualization, O.J.P. and M.J.T.R.; validation, Y.Y.S.; data curation; P.D.J.; writing\u2014original draft preparation, P.D.J. and Y.Y.S.; writing\u2014review and editing, J.-T.J., H.-J.P., I.P., E.-S.P., Y.J.K. and M.J.T.R.; visualization, Y.Y.S.; supervision, M.J.T.R.; project administration, Y.Y.S.; funding acquisition, O.J.P. and I.P. All authors have read and agreed to the published version of the manuscript.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Funding\">Funding<\/span><\/h3>\n<p>This research was supported by the Korean Government Long-Term Fellowship Program for Overseas Study funded by the Ministry of Food and Drug Safety (called Korean FDA) and the Promotion (NO: P0016078) of Innovative Business for Regulation-Free Special Zones funded by the Ministry of SMEs and Startups (MSS, Republic of Korea).\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Data_availability_statement\">Data availability statement<\/span><\/h3>\n<p>The data of the current study are available from the corresponding author upon reasonable request.\n<\/p>\n<h3><span class=\"mw-headline\" id=\"Conflicts_of_interest\">Conflicts of interest<\/span><\/h3>\n<p>M.J.T.R. is the founder of, and has an equity interest in, Prairie Tide Diversified Inc. (PTD, Saskatoon, SK, Canada). Y.Y.S. is the Korea Branch Representative for PTD in Korea. The terms of this arrangement have been reviewed and approved by the University of Saskatchewan in accordance with its conflict-of-interest policies. 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Ibarra, Miguel; Moskalenko, Oleksandr; Fear, Justin M.; Gerken, Joseph; Mi, Xinlei; Ashrafi, Ali; Morse, Alison M. <i>et al.<\/i> (1 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcbioinformatics.biomedcentral.com\/articles\/10.1186\/s12859-018-2134-1\" target=\"_blank\">\"SECIMTools: a suite of metabolomics data analysis tools\"<\/a> (in en). <i>BMC Bioinformatics<\/i> <b>19<\/b> (1): 151. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12859-018-2134-1\" target=\"_blank\">10.1186\/s12859-018-2134-1<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1471-2105\" target=\"_blank\">1471-2105<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5910624\/\" target=\"_blank\">PMC5910624<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29678131\" target=\"_blank\">29678131<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcbioinformatics.biomedcentral.com\/articles\/10.1186\/s12859-018-2134-1\" target=\"_blank\">https:\/\/bmcbioinformatics.biomedcentral.com\/articles\/10.1186\/s12859-018-2134-1<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=SECIMTools%3A+a+suite+of+metabolomics+data+analysis+tools&rft.jtitle=BMC+Bioinformatics&rft.aulast=Kirpich&rft.aufirst=Alexander+S.&rft.au=Kirpich%2C%26%2332%3BAlexander+S.&rft.au=Ibarra%2C%26%2332%3BMiguel&rft.au=Moskalenko%2C%26%2332%3BOleksandr&rft.au=Fear%2C%26%2332%3BJustin+M.&rft.au=Gerken%2C%26%2332%3BJoseph&rft.au=Mi%2C%26%2332%3BXinlei&rft.au=Ashrafi%2C%26%2332%3BAli&rft.au=Morse%2C%26%2332%3BAlison+M.&rft.au=McIntyre%2C%26%2332%3BLauren+M.&rft.date=1+December+2018&rft.volume=19&rft.issue=1&rft.pages=151&rft_id=info:doi\/10.1186%2Fs12859-018-2134-1&rft.issn=1471-2105&rft_id=info:pmc\/PMC5910624&rft_id=info:pmid\/29678131&rft_id=https%3A%2F%2Fbmcbioinformatics.biomedcentral.com%2Farticles%2F10.1186%2Fs12859-018-2134-1&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-4\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-4\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Deshmukh, A. 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(1 December 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S092422440900226X\" target=\"_blank\">\"Metabolomic analysis in food science: a review\"<\/a> (in en). <i>Trends in Food Science & Technology<\/i> <b>20<\/b> (11-12): 557\u2013566. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.tifs.2009.07.002\" target=\"_blank\">10.1016\/j.tifs.2009.07.002<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S092422440900226X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S092422440900226X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Metabolomic+analysis+in+food+science%3A+a+review&rft.jtitle=Trends+in+Food+Science+%26+Technology&rft.aulast=Cevallos-Cevallos&rft.aufirst=Juan+M.&rft.au=Cevallos-Cevallos%2C%26%2332%3BJuan+M.&rft.au=Reyes-De-Corcuera%2C%26%2332%3BJos%C3%A9+I.&rft.au=Etxeberria%2C%26%2332%3BEdgardo&rft.au=Danyluk%2C%26%2332%3BMichelle+D.&rft.au=Rodrick%2C%26%2332%3BGary+E.&rft.date=1+December+2009&rft.volume=20&rft.issue=11-12&rft.pages=557%E2%80%93566&rft_id=info:doi\/10.1016%2Fj.tifs.2009.07.002&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS092422440900226X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:0-7\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:0_7-0\">7.0<\/a><\/sup> <sup><a href=\"#cite_ref-:0_7-1\">7.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Turner, Carlton E.; Elsohly, Mahmoud A.; Boeren, Edward G. (1 March 1980). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/np50008a001\" target=\"_blank\">\"Constituents of Cannabis sativa L. XVII. A Review of the Natural Constituents\"<\/a> (in en). <i>Journal of Natural Products<\/i> <b>43<\/b> (2): 169\u2013234. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Fnp50008a001\" target=\"_blank\">10.1021\/np50008a001<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0163-3864\" target=\"_blank\">0163-3864<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/np50008a001\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/np50008a001<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Constituents+of+Cannabis+sativa+L.+XVII.+A+Review+of+the+Natural+Constituents&rft.jtitle=Journal+of+Natural+Products&rft.aulast=Turner&rft.aufirst=Carlton+E.&rft.au=Turner%2C%26%2332%3BCarlton+E.&rft.au=Elsohly%2C%26%2332%3BMahmoud+A.&rft.au=Boeren%2C%26%2332%3BEdward+G.&rft.date=1+March+1980&rft.volume=43&rft.issue=2&rft.pages=169%E2%80%93234&rft_id=info:doi\/10.1021%2Fnp50008a001&rft.issn=0163-3864&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2Fabs%2F10.1021%2Fnp50008a001&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:1-8\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:1_8-0\">8.0<\/a><\/sup> <sup><a href=\"#cite_ref-:1_8-1\">8.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ross, Samir; EISohly, Mahmoud (1 June 1995). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/zjps.journals.ekb.eg\/article_169714.html\" target=\"_blank\">\"CONSTITUENTS OF CANNABIS SATIVA L. XXVIII A REVIEW OF THE NATURAL CONSTITUENTS: 1980-1994\"<\/a> (in en). <i>Zagazig Journal of Pharmaceutical Sciences<\/i> <b>4<\/b> (1): 1\u201310. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.21608%2Fzjps.1995.169714\" target=\"_blank\">10.21608\/zjps.1995.169714<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2356-9786\" target=\"_blank\">2356-9786<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/zjps.journals.ekb.eg\/article_169714.html\" target=\"_blank\">https:\/\/zjps.journals.ekb.eg\/article_169714.html<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CONSTITUENTS+OF+CANNABIS+SATIVA+L.+XXVIII+A+REVIEW+OF+THE+NATURAL+CONSTITUENTS%3A+1980-1994&rft.jtitle=Zagazig+Journal+of+Pharmaceutical+Sciences&rft.aulast=Ross&rft.aufirst=Samir&rft.au=Ross%2C%26%2332%3BSamir&rft.au=EISohly%2C%26%2332%3BMahmoud&rft.date=1+June+1995&rft.volume=4&rft.issue=1&rft.pages=1%E2%80%9310&rft_id=info:doi\/10.21608%2Fzjps.1995.169714&rft.issn=2356-9786&rft_id=https%3A%2F%2Fzjps.journals.ekb.eg%2Farticle_169714.html&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:2-9\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:2_9-0\">9.0<\/a><\/sup> <sup><a href=\"#cite_ref-:2_9-1\">9.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">ElSohly, Mahmoud A.; Slade, Desmond (1 December 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S002432050500891X\" target=\"_blank\">\"Chemical constituents of marijuana: The complex mixture of natural cannabinoids\"<\/a> (in en). <i>Life Sciences<\/i> <b>78<\/b> (5): 539\u2013548. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.lfs.2005.09.011\" target=\"_blank\">10.1016\/j.lfs.2005.09.011<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S002432050500891X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S002432050500891X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemical+constituents+of+marijuana%3A+The+complex+mixture+of+natural+cannabinoids&rft.jtitle=Life+Sciences&rft.aulast=ElSohly&rft.aufirst=Mahmoud+A.&rft.au=ElSohly%2C%26%2332%3BMahmoud+A.&rft.au=Slade%2C%26%2332%3BDesmond&rft.date=1+December+2005&rft.volume=78&rft.issue=5&rft.pages=539%E2%80%93548&rft_id=info:doi\/10.1016%2Fj.lfs.2005.09.011&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS002432050500891X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:3-10\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:3_10-0\">10.0<\/a><\/sup> <sup><a href=\"#cite_ref-:3_10-1\">10.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFElSohlyGul2014\">ElSohly, Mahmoud A.; Gul, Waseem (21 August 2014), Pertwee, Roger, ed., <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/book\/27329\/chapter\/197023611\" target=\"_blank\">\"Constituents of Cannabis Sativa\"<\/a>, <i>Handbook of Cannabis<\/i> (Oxford University Press): 3\u201322, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Facprof%3Aoso%2F9780199662685.003.0001\" target=\"_blank\">10.1093\/acprof:oso\/9780199662685.003.0001<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-0-19-966268-5<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/book\/27329\/chapter\/197023611\" target=\"_blank\">https:\/\/academic.oup.com\/book\/27329\/chapter\/197023611<\/a><\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Constituents+of+Cannabis+Sativa&rft.jtitle=Handbook+of+Cannabis&rft.aulast=ElSohly&rft.aufirst=Mahmoud+A.&rft.au=ElSohly%2C%26%2332%3BMahmoud+A.&rft.au=Gul%2C%26%2332%3BWaseem&rft.date=21+August+2014&rft.pages=3%E2%80%9322&rft.pub=Oxford+University+Press&rft_id=info:doi\/10.1093%2Facprof%3Aoso%2F9780199662685.003.0001&rft.isbn=978-0-19-966268-5&rft_id=https%3A%2F%2Facademic.oup.com%2Fbook%2F27329%2Fchapter%2F197023611&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:4-11\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:4_11-0\">11.0<\/a><\/sup> <sup><a href=\"#cite_ref-:4_11-1\">11.1<\/a><\/sup> <sup><a href=\"#cite_ref-:4_11-2\">11.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFElSohlyRadwanGulChandra2017\">ElSohly, Mahmoud A.; Radwan, Mohamed M.; Gul, Waseem; Chandra, Suman; Galal, Ahmed (2017), Kinghorn, A. Douglas; Falk, Heinz; Gibbons, Simon <i>et al.<\/i>., eds., <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-45541-9_1\" target=\"_blank\">\"Phytochemistry of Cannabis sativa L.\"<\/a> (in en), <i>Phytocannabinoids<\/i> (Cham: Springer International Publishing) <b>103<\/b>: 1\u201336, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F978-3-319-45541-9_1\" target=\"_blank\">10.1007\/978-3-319-45541-9_1<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-319-45539-6<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/978-3-319-45541-9_1\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/978-3-319-45541-9_1<\/a><\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Phytochemistry+of+Cannabis+sativa+L.&rft.jtitle=Phytocannabinoids&rft.aulast=ElSohly&rft.aufirst=Mahmoud+A.&rft.au=ElSohly%2C%26%2332%3BMahmoud+A.&rft.au=Radwan%2C%26%2332%3BMohamed+M.&rft.au=Gul%2C%26%2332%3BWaseem&rft.au=Chandra%2C%26%2332%3BSuman&rft.au=Galal%2C%26%2332%3BAhmed&rft.date=2017&rft.volume=103&rft.pages=1%E2%80%9336&rft.place=Cham&rft.pub=Springer+International+Publishing&rft_id=info:doi\/10.1007%2F978-3-319-45541-9_1&rft.isbn=978-3-319-45539-6&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F978-3-319-45541-9_1&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-12\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-12\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ferber, Sari Goldstein; Namdar, Dvora; Hen-Shoval, Danielle; Eger, Gilad; Koltai, Hinanit; Shoval, Gal; Shbiro, Liat; Weller, Aron (23 January 2020). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.eurekaselect.com\/174648\/article\" target=\"_blank\">\"The \u201cEntourage Effect\u201d: Terpenes Coupled with Cannabinoids for the Treatment of Mood Disorders and Anxiety Disorders\"<\/a> (in en). <i>Current Neuropharmacology<\/i> <b>18<\/b> (2): 87\u201396. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.2174%2F1570159X17666190903103923\" target=\"_blank\">10.2174\/1570159X17666190903103923<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7324885\/\" target=\"_blank\">PMC7324885<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31481004\" target=\"_blank\">31481004<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.eurekaselect.com\/174648\/article\" target=\"_blank\">http:\/\/www.eurekaselect.com\/174648\/article<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+%E2%80%9CEntourage+Effect%E2%80%9D%3A+Terpenes+Coupled+with+Cannabinoids+for+the+Treatment+of+Mood+Disorders+and+Anxiety+Disorders&rft.jtitle=Current+Neuropharmacology&rft.aulast=Ferber&rft.aufirst=Sari+Goldstein&rft.au=Ferber%2C%26%2332%3BSari+Goldstein&rft.au=Namdar%2C%26%2332%3BDvora&rft.au=Hen-Shoval%2C%26%2332%3BDanielle&rft.au=Eger%2C%26%2332%3BGilad&rft.au=Koltai%2C%26%2332%3BHinanit&rft.au=Shoval%2C%26%2332%3BGal&rft.au=Shbiro%2C%26%2332%3BLiat&rft.au=Weller%2C%26%2332%3BAron&rft.date=23+January+2020&rft.volume=18&rft.issue=2&rft.pages=87%E2%80%9396&rft_id=info:doi\/10.2174%2F1570159X17666190903103923&rft_id=info:pmc\/PMC7324885&rft_id=info:pmid\/31481004&rft_id=http%3A%2F%2Fwww.eurekaselect.com%2F174648%2Farticle&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-13\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-13\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Stasi\u0142owicz, Anna; Tomala, Anna; Podolak, Irma; Cielecka-Piontek, Judyta (14 January 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/1422-0067\/22\/2\/778\" target=\"_blank\">\"Cannabis sativa L. as a Natural Drug Meeting the Criteria of a Multitarget Approach to Treatment\"<\/a> (in en). <i>International Journal of Molecular Sciences<\/i> <b>22<\/b> (2): 778. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fijms22020778\" target=\"_blank\">10.3390\/ijms22020778<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1422-0067\" target=\"_blank\">1422-0067<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7830475\/\" target=\"_blank\">PMC7830475<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33466734\" target=\"_blank\">33466734<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/1422-0067\/22\/2\/778\" target=\"_blank\">https:\/\/www.mdpi.com\/1422-0067\/22\/2\/778<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabis+sativa+L.+as+a+Natural+Drug+Meeting+the+Criteria+of+a+Multitarget+Approach+to+Treatment&rft.jtitle=International+Journal+of+Molecular+Sciences&rft.aulast=Stasi%C5%82owicz&rft.aufirst=Anna&rft.au=Stasi%C5%82owicz%2C%26%2332%3BAnna&rft.au=Tomala%2C%26%2332%3BAnna&rft.au=Podolak%2C%26%2332%3BIrma&rft.au=Cielecka-Piontek%2C%26%2332%3BJudyta&rft.date=14+January+2021&rft.volume=22&rft.issue=2&rft.pages=778&rft_id=info:doi\/10.3390%2Fijms22020778&rft.issn=1422-0067&rft_id=info:pmc\/PMC7830475&rft_id=info:pmid\/33466734&rft_id=https%3A%2F%2Fwww.mdpi.com%2F1422-0067%2F22%2F2%2F778&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:5-14\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:5_14-0\">14.0<\/a><\/sup> <sup><a href=\"#cite_ref-:5_14-1\">14.1<\/a><\/sup> <sup><a href=\"#cite_ref-:5_14-2\">14.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hazekamp, Arno; Peltenburg, Anja; Verpoorte, Rob; Giroud, Christian (1 September 2005). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/10826070500187558\" target=\"_blank\">\"Chromatographic and Spectroscopic Data of Cannabinoids from Cannabis sativa L.\"<\/a> (in en). <i>Journal of Liquid Chromatography & Related Technologies<\/i> <b>28<\/b> (15): 2361\u20132382. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1080%2F10826070500187558\" target=\"_blank\">10.1080\/10826070500187558<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1082-6076\" target=\"_blank\">1082-6076<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/10826070500187558\" target=\"_blank\">https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/10826070500187558<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chromatographic+and+Spectroscopic+Data+of+Cannabinoids+from+Cannabis+sativa+L.&rft.jtitle=Journal+of+Liquid+Chromatography+%26+Related+Technologies&rft.aulast=Hazekamp&rft.aufirst=Arno&rft.au=Hazekamp%2C%26%2332%3BArno&rft.au=Peltenburg%2C%26%2332%3BAnja&rft.au=Verpoorte%2C%26%2332%3BRob&rft.au=Giroud%2C%26%2332%3BChristian&rft.date=1+September+2005&rft.volume=28&rft.issue=15&rft.pages=2361%E2%80%932382&rft_id=info:doi\/10.1080%2F10826070500187558&rft.issn=1082-6076&rft_id=https%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.1080%2F10826070500187558&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-15\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-15\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pe\u010d, Jaroslav; Flores-Sanchez, Isvett Josefina; Choi, Young Hae; Verpoorte, Robert (1 July 2010). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s10529-010-0225-9\" target=\"_blank\">\"Metabolic analysis of elicited cell suspension cultures of Cannabis sativa L. by 1H-NMR spectroscopy\"<\/a> (in en). <i>Biotechnology Letters<\/i> <b>32<\/b> (7): 935\u2013941. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs10529-010-0225-9\" target=\"_blank\">10.1007\/s10529-010-0225-9<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0141-5492\" target=\"_blank\">0141-5492<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s10529-010-0225-9\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s10529-010-0225-9<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Metabolic+analysis+of+elicited+cell+suspension+cultures+of+Cannabis+sativa+L.+by+1H-NMR+spectroscopy&rft.jtitle=Biotechnology+Letters&rft.aulast=Pe%C4%8D&rft.aufirst=Jaroslav&rft.au=Pe%C4%8D%2C%26%2332%3BJaroslav&rft.au=Flores-Sanchez%2C%26%2332%3BIsvett+Josefina&rft.au=Choi%2C%26%2332%3BYoung+Hae&rft.au=Verpoorte%2C%26%2332%3BRobert&rft.date=1+July+2010&rft.volume=32&rft.issue=7&rft.pages=935%E2%80%93941&rft_id=info:doi\/10.1007%2Fs10529-010-0225-9&rft.issn=0141-5492&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs10529-010-0225-9&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:6-16\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:6_16-0\">16.0<\/a><\/sup> <sup><a href=\"#cite_ref-:6_16-1\">16.1<\/a><\/sup> <sup><a href=\"#cite_ref-:6_16-2\">16.2<\/a><\/sup> <sup><a href=\"#cite_ref-:6_16-3\">16.3<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Choi, Young Hae; Kim, Hye Kyong; Hazekamp, Arno; Erkelens, Cornelis; Lefeber, Alfons W. M.; Verpoorte, Robert (1 June 2004). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/np049919c\" target=\"_blank\">\"Metabolomic Differentiation of Cannabis s ativa Cultivars Using 1 H NMR Spectroscopy and Principal Component Analysis\"<\/a> (in en). <i>Journal of Natural Products<\/i> <b>67<\/b> (6): 953\u2013957. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Fnp049919c\" target=\"_blank\">10.1021\/np049919c<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0163-3864\" target=\"_blank\">0163-3864<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/np049919c\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/np049919c<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Metabolomic+Differentiation+of+Cannabis+s+ativa+Cultivars+Using+1+H+NMR+Spectroscopy+and+Principal+Component+Analysis&rft.jtitle=Journal+of+Natural+Products&rft.aulast=Choi&rft.aufirst=Young+Hae&rft.au=Choi%2C%26%2332%3BYoung+Hae&rft.au=Kim%2C%26%2332%3BHye+Kyong&rft.au=Hazekamp%2C%26%2332%3BArno&rft.au=Erkelens%2C%26%2332%3BCornelis&rft.au=Lefeber%2C%26%2332%3BAlfons+W.+M.&rft.au=Verpoorte%2C%26%2332%3BRobert&rft.date=1+June+2004&rft.volume=67&rft.issue=6&rft.pages=953%E2%80%93957&rft_id=info:doi\/10.1021%2Fnp049919c&rft.issn=0163-3864&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Fnp049919c&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:7-17\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:7_17-0\">17.0<\/a><\/sup> <sup><a href=\"#cite_ref-:7_17-1\">17.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation\" id=\"rdp-ebb-CITEREFVillas-B.C3.B4asKoulmanLane2007\">Villas-B\u00f4as, Silas G.; Koulman, Albert; Lane, Geoffrey A. (2007), Nielsen, Jens; Jewett, Michael C., eds., <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/4735_2007_0217\" target=\"_blank\">\"Analytical methods from the perspective of method standardization\"<\/a>, <i>Metabolomics<\/i> (Berlin, Heidelberg: Springer Berlin Heidelberg) <b>18<\/b>: 11\u201352, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2F4735_2007_0217\" target=\"_blank\">10.1007\/4735_2007_0217<\/a>, <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-3-540-74718-5<span class=\"printonly\">, <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/4735_2007_0217\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/4735_2007_0217<\/a><\/span><\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Analytical+methods+from+the+perspective+of+method+standardization&rft.jtitle=Metabolomics&rft.aulast=Villas-B%C3%B4as&rft.aufirst=Silas+G.&rft.au=Villas-B%C3%B4as%2C%26%2332%3BSilas+G.&rft.au=Koulman%2C%26%2332%3BAlbert&rft.au=Lane%2C%26%2332%3BGeoffrey+A.&rft.date=2007&rft.volume=18&rft.pages=11%E2%80%9352&rft.place=Berlin%2C+Heidelberg&rft.pub=Springer+Berlin+Heidelberg&rft_id=info:doi\/10.1007%2F4735_2007_0217&rft.isbn=978-3-540-74718-5&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2F4735_2007_0217&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:8-18\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:8_18-0\">18.0<\/a><\/sup> <sup><a href=\"#cite_ref-:8_18-1\">18.1<\/a><\/sup> <sup><a href=\"#cite_ref-:8_18-2\">18.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Happyana, N.; Kayser, O. (1 October 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.actahort.org\/books\/1125\/1125_3.htm\" target=\"_blank\">\"1 H NMR-based metabolomics differentiation and real time PCR analysis of medicinal Cannabis organs\"<\/a>. <i>Acta Horticulturae<\/i> (1125): 25\u201332. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.17660%2FActaHortic.2016.1125.3\" target=\"_blank\">10.17660\/ActaHortic.2016.1125.3<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0567-7572\" target=\"_blank\">0567-7572<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.actahort.org\/books\/1125\/1125_3.htm\" target=\"_blank\">https:\/\/www.actahort.org\/books\/1125\/1125_3.htm<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=1+H+NMR-based+metabolomics+differentiation+and+real+time+PCR+analysis+of+medicinal+Cannabis+organs&rft.jtitle=Acta+Horticulturae&rft.aulast=Happyana&rft.aufirst=N.&rft.au=Happyana%2C%26%2332%3BN.&rft.au=Kayser%2C%26%2332%3BO.&rft.date=1+October+2016&rft.issue=1125&rft.pages=25%E2%80%9332&rft_id=info:doi\/10.17660%2FActaHortic.2016.1125.3&rft.issn=0567-7572&rft_id=https%3A%2F%2Fwww.actahort.org%2Fbooks%2F1125%2F1125_3.htm&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:9-19\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:9_19-0\">19.0<\/a><\/sup> <sup><a href=\"#cite_ref-:9_19-1\">19.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Peschel, Wieland; Politi, Matteo (1 August 2015). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914015001228\" target=\"_blank\">\"1 H NMR and HPLC\/DAD for Cannabis sativa L. chemotype distinction, extract profiling and specification\"<\/a> (in en). <i>Talanta<\/i> <b>140<\/b>: 150\u2013165. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.talanta.2015.02.040\" target=\"_blank\">10.1016\/j.talanta.2015.02.040<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914015001228\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914015001228<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=1+H+NMR+and+HPLC%2FDAD+for+Cannabis+sativa+L.+chemotype+distinction%2C+extract+profiling+and+specification&rft.jtitle=Talanta&rft.aulast=Peschel&rft.aufirst=Wieland&rft.au=Peschel%2C%26%2332%3BWieland&rft.au=Politi%2C%26%2332%3BMatteo&rft.date=1+August+2015&rft.volume=140&rft.pages=150%E2%80%93165&rft_id=info:doi\/10.1016%2Fj.talanta.2015.02.040&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0039914015001228&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:10-20\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:10_20-0\">20.0<\/a><\/sup> <sup><a href=\"#cite_ref-:10_20-1\">20.1<\/a><\/sup> <sup><a href=\"#cite_ref-:10_20-2\">20.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hazekamp, Arno; Tejkalov\u00e1, Katerina; Papadimitriou, Stelios (1 December 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.liebertpub.com\/doi\/10.1089\/can.2016.0017\" target=\"_blank\">\"Cannabis: From Cultivar to Chemovar II\u2014A Metabolomics Approach to Cannabis Classification\"<\/a> (in en). <i>Cannabis and Cannabinoid Research<\/i> <b>1<\/b> (1): 202\u2013215. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1089%2Fcan.2016.0017\" target=\"_blank\">10.1089\/can.2016.0017<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2378-8763\" target=\"_blank\">2378-8763<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.liebertpub.com\/doi\/10.1089\/can.2016.0017\" target=\"_blank\">http:\/\/www.liebertpub.com\/doi\/10.1089\/can.2016.0017<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Cannabis%3A+From+Cultivar+to+Chemovar+II%E2%80%94A+Metabolomics+Approach+to+Cannabis+Classification&rft.jtitle=Cannabis+and+Cannabinoid+Research&rft.aulast=Hazekamp&rft.aufirst=Arno&rft.au=Hazekamp%2C%26%2332%3BArno&rft.au=Tejkalov%C3%A1%2C%26%2332%3BKaterina&rft.au=Papadimitriou%2C%26%2332%3BStelios&rft.date=1+December+2016&rft.volume=1&rft.issue=1&rft.pages=202%E2%80%93215&rft_id=info:doi\/10.1089%2Fcan.2016.0017&rft.issn=2378-8763&rft_id=http%3A%2F%2Fwww.liebertpub.com%2Fdoi%2F10.1089%2Fcan.2016.0017&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:11-21\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:11_21-0\">21.0<\/a><\/sup> <sup><a href=\"#cite_ref-:11_21-1\">21.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fischedick, Justin Thomas; Hazekamp, Arno; Erkelens, Tjalling; Choi, Young Hae; Verpoorte, Rob (1 December 2010). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S003194221000381X\" target=\"_blank\">\"Metabolic fingerprinting of Cannabis sativa L., cannabinoids and terpenoids for chemotaxonomic and drug standardization purposes\"<\/a> (in en). <i>Phytochemistry<\/i> <b>71<\/b> (17-18): 2058\u20132073. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.phytochem.2010.10.001\" target=\"_blank\">10.1016\/j.phytochem.2010.10.001<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S003194221000381X\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S003194221000381X<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Metabolic+fingerprinting+of+Cannabis+sativa+L.%2C+cannabinoids+and+terpenoids+for+chemotaxonomic+and+drug+standardization+purposes&rft.jtitle=Phytochemistry&rft.aulast=Fischedick&rft.aufirst=Justin+Thomas&rft.au=Fischedick%2C%26%2332%3BJustin+Thomas&rft.au=Hazekamp%2C%26%2332%3BArno&rft.au=Erkelens%2C%26%2332%3BTjalling&rft.au=Choi%2C%26%2332%3BYoung+Hae&rft.au=Verpoorte%2C%26%2332%3BRob&rft.date=1+December+2010&rft.volume=71&rft.issue=17-18&rft.pages=2058%E2%80%932073&rft_id=info:doi\/10.1016%2Fj.phytochem.2010.10.001&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS003194221000381X&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:12-22\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:12_22-0\">22.0<\/a><\/sup> <sup><a href=\"#cite_ref-:12_22-1\">22.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rashid, Aatif; Ali, Villayat; Khajuria, Manu; Faiz, Sheenam; Gairola, Sumeet; Vyas, Dhiraj (1 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620319385\" target=\"_blank\">\"GC\u2013MS based metabolomic approach to understand nutraceutical potential of Cannabis seeds from two different environments\"<\/a> (in en). <i>Food Chemistry<\/i> <b>339<\/b>: 128076. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.foodchem.2020.128076\" target=\"_blank\">10.1016\/j.foodchem.2020.128076<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620319385\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620319385<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=GC%E2%80%93MS+based+metabolomic+approach+to+understand+nutraceutical+potential+of+Cannabis+seeds+from+two+different+environments&rft.jtitle=Food+Chemistry&rft.aulast=Rashid&rft.aufirst=Aatif&rft.au=Rashid%2C%26%2332%3BAatif&rft.au=Ali%2C%26%2332%3BVillayat&rft.au=Khajuria%2C%26%2332%3BManu&rft.au=Faiz%2C%26%2332%3BSheenam&rft.au=Gairola%2C%26%2332%3BSumeet&rft.au=Vyas%2C%26%2332%3BDhiraj&rft.date=1+March+2021&rft.volume=339&rft.pages=128076&rft_id=info:doi\/10.1016%2Fj.foodchem.2020.128076&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0308814620319385&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:13-23\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:13_23-0\">23.0<\/a><\/sup> <sup><a href=\"#cite_ref-:13_23-1\">23.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Franchina, Flavio A.; Dubois, Lena M.; Focant, Jean-Fran\u00e7ois (4 August 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.0c01301\" target=\"_blank\">\"In-Depth Cannabis Multiclass Metabolite Profiling Using Sorptive Extraction and Multidimensional Gas Chromatography with Low- and High-Resolution Mass Spectrometry\"<\/a> (in en). <i>Analytical Chemistry<\/i> <b>92<\/b> (15): 10512\u201310520. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.analchem.0c01301\" target=\"_blank\">10.1021\/acs.analchem.0c01301<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0003-2700\" target=\"_blank\">0003-2700<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.0c01301\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.0c01301<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=In-Depth+Cannabis+Multiclass+Metabolite+Profiling+Using+Sorptive+Extraction+and+Multidimensional+Gas+Chromatography+with+Low-+and+High-Resolution+Mass+Spectrometry&rft.jtitle=Analytical+Chemistry&rft.aulast=Franchina&rft.aufirst=Flavio+A.&rft.au=Franchina%2C%26%2332%3BFlavio+A.&rft.au=Dubois%2C%26%2332%3BLena+M.&rft.au=Focant%2C%26%2332%3BJean-Fran%C3%A7ois&rft.date=4+August+2020&rft.volume=92&rft.issue=15&rft.pages=10512%E2%80%9310520&rft_id=info:doi\/10.1021%2Facs.analchem.0c01301&rft.issn=0003-2700&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.analchem.0c01301&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:14-24\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:14_24-0\">24.0<\/a><\/sup> <sup><a href=\"#cite_ref-:14_24-1\">24.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Shapira, Anna; Berman, Paula; Futoran, Kate; Guberman, Ohad; Meiri, David (3 September 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.9b02844\" target=\"_blank\">\"Tandem Mass Spectrometric Quantification of 93 Terpenoids in Cannabis Using Static Headspace Injections\"<\/a> (in en). <i>Analytical Chemistry<\/i> <b>91<\/b> (17): 11425\u201311432. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facs.analchem.9b02844\" target=\"_blank\">10.1021\/acs.analchem.9b02844<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0003-2700\" target=\"_blank\">0003-2700<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.9b02844\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acs.analchem.9b02844<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Tandem+Mass+Spectrometric+Quantification+of+93+Terpenoids+in+Cannabis+Using+Static+Headspace+Injections&rft.jtitle=Analytical+Chemistry&rft.aulast=Shapira&rft.aufirst=Anna&rft.au=Shapira%2C%26%2332%3BAnna&rft.au=Berman%2C%26%2332%3BPaula&rft.au=Futoran%2C%26%2332%3BKate&rft.au=Guberman%2C%26%2332%3BOhad&rft.au=Meiri%2C%26%2332%3BDavid&rft.date=3+September+2019&rft.volume=91&rft.issue=17&rft.pages=11425%E2%80%9311432&rft_id=info:doi\/10.1021%2Facs.analchem.9b02844&rft.issn=0003-2700&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.analchem.9b02844&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:15-25\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:15_25-0\">25.0<\/a><\/sup> <sup><a href=\"#cite_ref-:15_25-1\">25.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mudge, Elizabeth M.; Brown, Paula N.; Murch, Susan J. (1 July 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/31096276\" target=\"_blank\">\"The Terroir of Cannabis: Terpene Metabolomics as a Tool to Understand Cannabis sativa Selections\"<\/a>. <i>Planta Medica<\/i> <b>85<\/b> (9-10): 781\u2013796. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1055%2Fa-0915-2550\" target=\"_blank\">10.1055\/a-0915-2550<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1439-0221\" target=\"_blank\">1439-0221<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31096276\" target=\"_blank\">31096276<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/31096276\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/31096276<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Terroir+of+Cannabis%3A+Terpene+Metabolomics+as+a+Tool+to+Understand+Cannabis+sativa+Selections&rft.jtitle=Planta+Medica&rft.aulast=Mudge&rft.aufirst=Elizabeth+M.&rft.au=Mudge%2C%26%2332%3BElizabeth+M.&rft.au=Brown%2C%26%2332%3BPaula+N.&rft.au=Murch%2C%26%2332%3BSusan+J.&rft.date=1+July+2019&rft.volume=85&rft.issue=9-10&rft.pages=781%E2%80%93796&rft_id=info:doi\/10.1055%2Fa-0915-2550&rft.issn=1439-0221&rft_id=info:pmid\/31096276&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F31096276&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:16-26\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:16_26-0\">26.0<\/a><\/sup> <sup><a href=\"#cite_ref-:16_26-1\">26.1<\/a><\/sup> <sup><a href=\"#cite_ref-:16_26-2\">26.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Berman, Paula; Futoran, Kate; Lewitus, Gil M.; Mukha, Dzmitry; Benami, Maya; Shlomi, Tomer; Meiri, David (24 September 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-32651-4\" target=\"_blank\">\"A new ESI-LC\/MS approach for comprehensive metabolic profiling of phytocannabinoids in Cannabis\"<\/a> (in en). <i>Scientific Reports<\/i> <b>8<\/b> (1): 14280. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41598-018-32651-4\" target=\"_blank\">10.1038\/s41598-018-32651-4<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2045-2322\" target=\"_blank\">2045-2322<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6155167\/\" target=\"_blank\">PMC6155167<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30250104\" target=\"_blank\">30250104<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-32651-4\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41598-018-32651-4<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+new+ESI-LC%2FMS+approach+for+comprehensive+metabolic+profiling+of+phytocannabinoids+in+Cannabis&rft.jtitle=Scientific+Reports&rft.aulast=Berman&rft.aufirst=Paula&rft.au=Berman%2C%26%2332%3BPaula&rft.au=Futoran%2C%26%2332%3BKate&rft.au=Lewitus%2C%26%2332%3BGil+M.&rft.au=Mukha%2C%26%2332%3BDzmitry&rft.au=Benami%2C%26%2332%3BMaya&rft.au=Shlomi%2C%26%2332%3BTomer&rft.au=Meiri%2C%26%2332%3BDavid&rft.date=24+September+2018&rft.volume=8&rft.issue=1&rft.pages=14280&rft_id=info:doi\/10.1038%2Fs41598-018-32651-4&rft.issn=2045-2322&rft_id=info:pmc\/PMC6155167&rft_id=info:pmid\/30250104&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41598-018-32651-4&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:17-27\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:17_27-0\">27.0<\/a><\/sup> <sup><a href=\"#cite_ref-:17_27-1\">27.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mudge, E. M.; Murch, S. J.; Brown, P. N. (30 August 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-31120-2\" target=\"_blank\">\"Chemometric Analysis of Cannabinoids: Chemotaxonomy and Domestication Syndrome\"<\/a> (in en). <i>Scientific Reports<\/i> <b>8<\/b> (1): 13090. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41598-018-31120-2\" target=\"_blank\">10.1038\/s41598-018-31120-2<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2045-2322\" target=\"_blank\">2045-2322<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6117354\/\" target=\"_blank\">PMC6117354<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30166613\" target=\"_blank\">30166613<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-31120-2\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41598-018-31120-2<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemometric+Analysis+of+Cannabinoids%3A+Chemotaxonomy+and+Domestication+Syndrome&rft.jtitle=Scientific+Reports&rft.aulast=Mudge&rft.aufirst=E.+M.&rft.au=Mudge%2C%26%2332%3BE.+M.&rft.au=Murch%2C%26%2332%3BS.+J.&rft.au=Brown%2C%26%2332%3BP.+N.&rft.date=30+August+2018&rft.volume=8&rft.issue=1&rft.pages=13090&rft_id=info:doi\/10.1038%2Fs41598-018-31120-2&rft.issn=2045-2322&rft_id=info:pmc\/PMC6117354&rft_id=info:pmid\/30166613&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41598-018-31120-2&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:18-28\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:18_28-0\">28.0<\/a><\/sup> <sup><a href=\"#cite_ref-:18_28-1\">28.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Aizpurua-Olaizola, Oier; Omar, Jone; Navarro, Patricia; Olivares, Maitane; Etxebarria, Nestor; Usobiaga, Aresatz (1 November 2014). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/link.springer.com\/10.1007\/s00216-014-8177-x\" target=\"_blank\">\"Identification and quantification of cannabinoids in Cannabis sativa L. plants by high performance liquid chromatography-mass spectrometry\"<\/a> (in en). <i>Analytical and Bioanalytical Chemistry<\/i> <b>406<\/b> (29): 7549\u20137560. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00216-014-8177-x\" target=\"_blank\">10.1007\/s00216-014-8177-x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1618-2642\" target=\"_blank\">1618-2642<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/link.springer.com\/10.1007\/s00216-014-8177-x\" target=\"_blank\">http:\/\/link.springer.com\/10.1007\/s00216-014-8177-x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Identification+and+quantification+of+cannabinoids+in+Cannabis+sativa+L.+plants+by+high+performance+liquid+chromatography-mass+spectrometry&rft.jtitle=Analytical+and+Bioanalytical+Chemistry&rft.aulast=Aizpurua-Olaizola&rft.aufirst=Oier&rft.au=Aizpurua-Olaizola%2C%26%2332%3BOier&rft.au=Omar%2C%26%2332%3BJone&rft.au=Navarro%2C%26%2332%3BPatricia&rft.au=Olivares%2C%26%2332%3BMaitane&rft.au=Etxebarria%2C%26%2332%3BNestor&rft.au=Usobiaga%2C%26%2332%3BAresatz&rft.date=1+November+2014&rft.volume=406&rft.issue=29&rft.pages=7549%E2%80%937560&rft_id=info:doi\/10.1007%2Fs00216-014-8177-x&rft.issn=1618-2642&rft_id=http%3A%2F%2Flink.springer.com%2F10.1007%2Fs00216-014-8177-x&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:19-29\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:19_29-0\">29.0<\/a><\/sup> <sup><a href=\"#cite_ref-:19_29-1\">29.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Citti, Cinzia; Battisti, Umberto Maria; Braghiroli, Daniela; Ciccarella, Giuseppe; Schmid, Martin; Vandelli, Maria Angela; Cannazza, Giuseppe (1 March 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/pca.2722\" target=\"_blank\">\"A Metabolomic Approach Applied to a Liquid Chromatography Coupled to High\u2010Resolution Tandem Mass Spectrometry Method (HPLC\u2010ESI\u2010HRMS\/MS): Towards the Comprehensive Evaluation of the Chemical Composition of Cannabis Medicinal Extracts\"<\/a> (in en). <i>Phytochemical Analysis<\/i> <b>29<\/b> (2): 144\u2013155. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fpca.2722\" target=\"_blank\">10.1002\/pca.2722<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0958-0344\" target=\"_blank\">0958-0344<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/pca.2722\" target=\"_blank\">https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/pca.2722<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+Metabolomic+Approach+Applied+to+a+Liquid+Chromatography+Coupled+to+High%E2%80%90Resolution+Tandem+Mass+Spectrometry+Method+%28HPLC%E2%80%90ESI%E2%80%90HRMS%2FMS%29%3A+Towards+the+Comprehensive+Evaluation+of+the+Chemical+Composition+of+Cannabis+Medicinal+Extracts&rft.jtitle=Phytochemical+Analysis&rft.aulast=Citti&rft.aufirst=Cinzia&rft.au=Citti%2C%26%2332%3BCinzia&rft.au=Battisti%2C%26%2332%3BUmberto+Maria&rft.au=Braghiroli%2C%26%2332%3BDaniela&rft.au=Ciccarella%2C%26%2332%3BGiuseppe&rft.au=Schmid%2C%26%2332%3BMartin&rft.au=Vandelli%2C%26%2332%3BMaria+Angela&rft.au=Cannazza%2C%26%2332%3BGiuseppe&rft.date=1+March+2018&rft.volume=29&rft.issue=2&rft.pages=144%E2%80%93155&rft_id=info:doi\/10.1002%2Fpca.2722&rft.issn=0958-0344&rft_id=https%3A%2F%2Fanalyticalsciencejournals.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fpca.2722&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:20-30\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:20_30-0\">30.0<\/a><\/sup> <sup><a href=\"#cite_ref-:20_30-1\">30.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Delgado-Povedano, M.M.; S\u00e1nchez-Carnerero Callado, C.; Priego-Capote, F.; Ferreiro-Vera, C. (1 February 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914019310173\" target=\"_blank\">\"Untargeted characterization of extracts from Cannabis sativa L. cultivars by gas and liquid chromatography coupled to mass spectrometry in high resolution mode\"<\/a> (in en). <i>Talanta<\/i> <b>208<\/b>: 120384. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.talanta.2019.120384\" target=\"_blank\">10.1016\/j.talanta.2019.120384<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914019310173\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0039914019310173<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Untargeted+characterization+of+extracts+from+Cannabis+sativa+L.+cultivars+by+gas+and+liquid+chromatography+coupled+to+mass+spectrometry+in+high+resolution+mode&rft.jtitle=Talanta&rft.aulast=Delgado-Povedano&rft.aufirst=M.M.&rft.au=Delgado-Povedano%2C%26%2332%3BM.M.&rft.au=S%C3%A1nchez-Carnerero+Callado%2C%26%2332%3BC.&rft.au=Priego-Capote%2C%26%2332%3BF.&rft.au=Ferreiro-Vera%2C%26%2332%3BC.&rft.date=1+February+2020&rft.volume=208&rft.pages=120384&rft_id=info:doi\/10.1016%2Fj.talanta.2019.120384&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0039914019310173&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:21-31\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:21_31-0\">31.0<\/a><\/sup> <sup><a href=\"#cite_ref-:21_31-1\">31.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marti, Guillaume; Schnee, Sylvain; Andrey, Yannis; Simoes-Pires, Claudia; Carrupt, Pierre-Alain; Wolfender, Jean-Luc; Gindro, Katia (5 September 2014). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.mdpi.com\/1420-3049\/19\/9\/14004\" target=\"_blank\">\"Study of Leaf Metabolome Modifications Induced by UV-C Radiations in Representative Vitis, Cissus and Cannabis Species by LC-MS Based Metabolomics and Antioxidant Assays\"<\/a> (in en). <i>Molecules<\/i> <b>19<\/b> (9): 14004\u201314021. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fmolecules190914004\" target=\"_blank\">10.3390\/molecules190914004<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1420-3049\" target=\"_blank\">1420-3049<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6271074\/\" target=\"_blank\">PMC6271074<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/25197936\" target=\"_blank\">25197936<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.mdpi.com\/1420-3049\/19\/9\/14004\" target=\"_blank\">http:\/\/www.mdpi.com\/1420-3049\/19\/9\/14004<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Study+of+Leaf+Metabolome+Modifications+Induced+by+UV-C+Radiations+in+Representative+Vitis%2C+Cissus+and+Cannabis+Species+by+LC-MS+Based+Metabolomics+and+Antioxidant+Assays&rft.jtitle=Molecules&rft.aulast=Marti&rft.aufirst=Guillaume&rft.au=Marti%2C%26%2332%3BGuillaume&rft.au=Schnee%2C%26%2332%3BSylvain&rft.au=Andrey%2C%26%2332%3BYannis&rft.au=Simoes-Pires%2C%26%2332%3BClaudia&rft.au=Carrupt%2C%26%2332%3BPierre-Alain&rft.au=Wolfender%2C%26%2332%3BJean-Luc&rft.au=Gindro%2C%26%2332%3BKatia&rft.date=5+September+2014&rft.volume=19&rft.issue=9&rft.pages=14004%E2%80%9314021&rft_id=info:doi\/10.3390%2Fmolecules190914004&rft.issn=1420-3049&rft_id=info:pmc\/PMC6271074&rft_id=info:pmid\/25197936&rft_id=http%3A%2F%2Fwww.mdpi.com%2F1420-3049%2F19%2F9%2F14004&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:22-32\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:22_32-0\">32.0<\/a><\/sup> <sup><a href=\"#cite_ref-:22_32-1\">32.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Lewis, Melissa M.; Yang, Yi; Wasilewski, Ewa; Clarke, Hance A.; Kotra, Lakshmi P. (30 September 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.7b00996\" target=\"_blank\">\"Chemical Profiling of Medical Cannabis Extracts\"<\/a> (in en). <i>ACS Omega<\/i> <b>2<\/b> (9): 6091\u20136103. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1021%2Facsomega.7b00996\" target=\"_blank\">10.1021\/acsomega.7b00996<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2470-1343\" target=\"_blank\">2470-1343<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6044620\/\" target=\"_blank\">PMC6044620<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30023762\" target=\"_blank\">30023762<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.7b00996\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.7b00996<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemical+Profiling+of+Medical+Cannabis+Extracts&rft.jtitle=ACS+Omega&rft.aulast=Lewis&rft.aufirst=Melissa+M.&rft.au=Lewis%2C%26%2332%3BMelissa+M.&rft.au=Yang%2C%26%2332%3BYi&rft.au=Wasilewski%2C%26%2332%3BEwa&rft.au=Clarke%2C%26%2332%3BHance+A.&rft.au=Kotra%2C%26%2332%3BLakshmi+P.&rft.date=30+September+2017&rft.volume=2&rft.issue=9&rft.pages=6091%E2%80%936103&rft_id=info:doi\/10.1021%2Facsomega.7b00996&rft.issn=2470-1343&rft_id=info:pmc\/PMC6044620&rft_id=info:pmid\/30023762&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facsomega.7b00996&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:23-33\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:23_33-0\">33.0<\/a><\/sup> <sup><a href=\"#cite_ref-:23_33-1\">33.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Contreras, Mar\u00eda del Mar; Jurado-Campos, Natividad; S\u00e1nchez-Carnerero Callado, Carolina; Arroyo-Manzanares, Natalia; Fern\u00e1ndez, Luis; Casano, Salvatore; Marco, Santiago; Arce, Lourdes <i>et al.<\/i> (1 November 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0925400518312681\" target=\"_blank\">\"Thermal desorption-ion mobility spectrometry: A rapid sensor for the detection of cannabinoids and discrimination of Cannabis sativa L. chemotypes\"<\/a> (in en). <i>Sensors and Actuators B: Chemical<\/i> <b>273<\/b>: 1413\u20131424. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.snb.2018.07.031\" target=\"_blank\">10.1016\/j.snb.2018.07.031<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0925400518312681\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0925400518312681<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Thermal+desorption-ion+mobility+spectrometry%3A+A+rapid+sensor+for+the+detection+of+cannabinoids+and+discrimination+of+Cannabis+sativa+L.+chemotypes&rft.jtitle=Sensors+and+Actuators+B%3A+Chemical&rft.aulast=Contreras&rft.aufirst=Mar%C3%ADa+del+Mar&rft.au=Contreras%2C%26%2332%3BMar%C3%ADa+del+Mar&rft.au=Jurado-Campos%2C%26%2332%3BNatividad&rft.au=S%C3%A1nchez-Carnerero+Callado%2C%26%2332%3BCarolina&rft.au=Arroyo-Manzanares%2C%26%2332%3BNatalia&rft.au=Fern%C3%A1ndez%2C%26%2332%3BLuis&rft.au=Casano%2C%26%2332%3BSalvatore&rft.au=Marco%2C%26%2332%3BSantiago&rft.au=Arce%2C%26%2332%3BLourdes&rft.au=Ferreiro-Vera%2C%26%2332%3BCarlos&rft.date=1+November+2018&rft.volume=273&rft.pages=1413%E2%80%931424&rft_id=info:doi\/10.1016%2Fj.snb.2018.07.031&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0925400518312681&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:24-34\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:24_34-0\">34.0<\/a><\/sup> <sup><a href=\"#cite_ref-:24_34-1\">34.1<\/a><\/sup> <sup><a href=\"#cite_ref-:24_34-2\">34.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Fischedick, Justin T.; Glas, Ronald; Hazekamp, Arno; Verpoorte, Rob (1 September 2009). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/pca.1143\" target=\"_blank\">\"A qualitative and quantitative HPTLC densitometry method for the analysis of cannabinoids in Cannabis sativa L.\"<\/a> (in en). <i>Phytochemical Analysis<\/i> <b>20<\/b> (5): 421\u2013426. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fpca.1143\" target=\"_blank\">10.1002\/pca.1143<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/pca.1143\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/pca.1143<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+qualitative+and+quantitative+HPTLC+densitometry+method+for+the+analysis+of+cannabinoids+in+Cannabis+sativa+L.&rft.jtitle=Phytochemical+Analysis&rft.aulast=Fischedick&rft.aufirst=Justin+T.&rft.au=Fischedick%2C%26%2332%3BJustin+T.&rft.au=Glas%2C%26%2332%3BRonald&rft.au=Hazekamp%2C%26%2332%3BArno&rft.au=Verpoorte%2C%26%2332%3BRob&rft.date=1+September+2009&rft.volume=20&rft.issue=5&rft.pages=421%E2%80%93426&rft_id=info:doi\/10.1002%2Fpca.1143&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fpca.1143&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:25-35\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:25_35-0\">35.0<\/a><\/sup> <sup><a href=\"#cite_ref-:25_35-1\">35.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ebersbach, Paul; Stehle, Felix; Kayser, Oliver; Freier, Erik (1 December 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/bmcplantbiol.biomedcentral.com\/articles\/10.1186\/s12870-018-1481-4\" target=\"_blank\">\"Chemical fingerprinting of single glandular trichomes of Cannabis sativa by Coherent anti-Stokes Raman scattering (CARS) microscopy\"<\/a> (in en). <i>BMC Plant Biology<\/i> <b>18<\/b> (1): 275. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1186%2Fs12870-018-1481-4\" target=\"_blank\">10.1186\/s12870-018-1481-4<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1471-2229\" target=\"_blank\">1471-2229<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC6233497\/\" target=\"_blank\">PMC6233497<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/30419820\" target=\"_blank\">30419820<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/bmcplantbiol.biomedcentral.com\/articles\/10.1186\/s12870-018-1481-4\" target=\"_blank\">https:\/\/bmcplantbiol.biomedcentral.com\/articles\/10.1186\/s12870-018-1481-4<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Chemical+fingerprinting+of+single+glandular+trichomes+of+Cannabis+sativa+by+Coherent+anti-Stokes+Raman+scattering+%28CARS%29+microscopy&rft.jtitle=BMC+Plant+Biology&rft.aulast=Ebersbach&rft.aufirst=Paul&rft.au=Ebersbach%2C%26%2332%3BPaul&rft.au=Stehle%2C%26%2332%3BFelix&rft.au=Kayser%2C%26%2332%3BOliver&rft.au=Freier%2C%26%2332%3BErik&rft.date=1+December+2018&rft.volume=18&rft.issue=1&rft.pages=275&rft_id=info:doi\/10.1186%2Fs12870-018-1481-4&rft.issn=1471-2229&rft_id=info:pmc\/PMC6233497&rft_id=info:pmid\/30419820&rft_id=https%3A%2F%2Fbmcplantbiol.biomedcentral.com%2Farticles%2F10.1186%2Fs12870-018-1481-4&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:26-36\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:26_36-0\">36.0<\/a><\/sup> <sup><a href=\"#cite_ref-:26_36-1\">36.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Eiras, M. M.; de Oliveira, D. N.; Ferreira, M. S.; Benassi, M.; Cazenave, S. O. S.; Catharino, R. R. (2014). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/xlink.rsc.org\/?DOI=c3ay41632a\" target=\"_blank\">\"Fast fingerprinting of cannabinoid markers by laser desorption ionization using silica plate extraction\"<\/a> (in en). <i>Analytical Methods<\/i> <b>6<\/b> (5): 1350. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1039%2Fc3ay41632a\" target=\"_blank\">10.1039\/c3ay41632a<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1759-9660\" target=\"_blank\">1759-9660<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/xlink.rsc.org\/?DOI=c3ay41632a\" target=\"_blank\">http:\/\/xlink.rsc.org\/?DOI=c3ay41632a<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Fast+fingerprinting+of+cannabinoid+markers+by+laser+desorption+ionization+using+silica+plate+extraction&rft.jtitle=Analytical+Methods&rft.aulast=Eiras&rft.aufirst=M.+M.&rft.au=Eiras%2C%26%2332%3BM.+M.&rft.au=de+Oliveira%2C%26%2332%3BD.+N.&rft.au=Ferreira%2C%26%2332%3BM.+S.&rft.au=Benassi%2C%26%2332%3BM.&rft.au=Cazenave%2C%26%2332%3BS.+O.+S.&rft.au=Catharino%2C%26%2332%3BR.+R.&rft.date=2014&rft.volume=6&rft.issue=5&rft.pages=1350&rft_id=info:doi\/10.1039%2Fc3ay41632a&rft.issn=1759-9660&rft_id=http%3A%2F%2Fxlink.rsc.org%2F%3FDOI%3Dc3ay41632a&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-37\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-37\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Happyana, Nizar; Kayser, Oliver (23 June 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0042-108058\" target=\"_blank\">\"Monitoring Metabolite Profiles of Cannabis sativa L. Trichomes during Flowering Period Using 1H NMR-Based Metabolomics and Real-Time PCR\"<\/a> (in en). <i>Planta Medica<\/i> <b>82<\/b> (13): 1217\u20131223. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1055%2Fs-0042-108058\" target=\"_blank\">10.1055\/s-0042-108058<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0032-0943\" target=\"_blank\">0032-0943<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0042-108058\" target=\"_blank\">http:\/\/www.thieme-connect.de\/DOI\/DOI?10.1055\/s-0042-108058<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Monitoring+Metabolite+Profiles+of+Cannabis+sativa+L.+Trichomes+during+Flowering+Period+Using+1H+NMR-Based+Metabolomics+and+Real-Time+PCR&rft.jtitle=Planta+Medica&rft.aulast=Happyana&rft.aufirst=Nizar&rft.au=Happyana%2C%26%2332%3BNizar&rft.au=Kayser%2C%26%2332%3BOliver&rft.date=23+June+2016&rft.volume=82&rft.issue=13&rft.pages=1217%E2%80%931223&rft_id=info:doi\/10.1055%2Fs-0042-108058&rft.issn=0032-0943&rft_id=http%3A%2F%2Fwww.thieme-connect.de%2FDOI%2FDOI%3F10.1055%2Fs-0042-108058&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-38\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-38\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wang, Xinyi; Harrington, Peter de B; Baugh, Steven F (1 September 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jaoac\/article\/100\/5\/1356-1364\/5654343\" target=\"_blank\">\"Comparative Study of NMR Spectral Profiling for the Characterization and Authentication of Cannabis\"<\/a> (in en). <i>Journal of AOAC INTERNATIONAL<\/i> <b>100<\/b> (5): 1356\u20131364. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5740%2Fjaoacint.17-0089\" target=\"_blank\">10.5740\/jaoacint.17-0089<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1060-3271\" target=\"_blank\">1060-3271<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jaoac\/article\/100\/5\/1356-1364\/5654343\" target=\"_blank\">https:\/\/academic.oup.com\/jaoac\/article\/100\/5\/1356-1364\/5654343<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Comparative+Study+of+NMR+Spectral+Profiling+for+the+Characterization+and+Authentication+of+Cannabis&rft.jtitle=Journal+of+AOAC+INTERNATIONAL&rft.aulast=Wang&rft.aufirst=Xinyi&rft.au=Wang%2C%26%2332%3BXinyi&rft.au=Harrington%2C%26%2332%3BPeter+de+B&rft.au=Baugh%2C%26%2332%3BSteven+F&rft.date=1+September+2017&rft.volume=100&rft.issue=5&rft.pages=1356%E2%80%931364&rft_id=info:doi\/10.5740%2Fjaoacint.17-0089&rft.issn=1060-3271&rft_id=https%3A%2F%2Facademic.oup.com%2Fjaoac%2Farticle%2F100%2F5%2F1356-1364%2F5654343&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-39\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-39\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pusiak, Ryan JP; Cox, Chelsea; Harris, Cory S. (1 July 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0955395921000104\" target=\"_blank\">\"Growing pains: An overview of cannabis quality control and quality assurance in Canada\"<\/a> (in en). <i>International Journal of Drug Policy<\/i> <b>93<\/b>: 103111. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.drugpo.2021.103111\" target=\"_blank\">10.1016\/j.drugpo.2021.103111<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0955395921000104\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0955395921000104<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Growing+pains%3A+An+overview+of+cannabis+quality+control+and+quality+assurance+in+Canada&rft.jtitle=International+Journal+of+Drug+Policy&rft.aulast=Pusiak&rft.aufirst=Ryan+JP&rft.au=Pusiak%2C%26%2332%3BRyan+JP&rft.au=Cox%2C%26%2332%3BChelsea&rft.au=Harris%2C%26%2332%3BCory+S.&rft.date=1+July+2021&rft.volume=93&rft.pages=103111&rft_id=info:doi\/10.1016%2Fj.drugpo.2021.103111&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0955395921000104&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-40\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-40\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Johnson-Arbor, Kelly; Smolinske, Susan (1 June 2022). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520\" target=\"_blank\">\"The current state of delta-8 THC\"<\/a> (in en). <i>The American Journal of Emergency Medicine<\/i> <b>56<\/b>: 259\u2013261. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.ajem.2021.06.066\" target=\"_blank\">10.1016\/j.ajem.2021.06.066<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0735675721005520<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+current+state+of+delta-8+THC&rft.jtitle=The+American+Journal+of+Emergency+Medicine&rft.aulast=Johnson-Arbor&rft.aufirst=Kelly&rft.au=Johnson-Arbor%2C%26%2332%3BKelly&rft.au=Smolinske%2C%26%2332%3BSusan&rft.date=1+June+2022&rft.volume=56&rft.pages=259%E2%80%93261&rft_id=info:doi\/10.1016%2Fj.ajem.2021.06.066&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0735675721005520&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-41\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-41\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Dickson, Kennedy; Janasie, Catherine; Willett, Kristine L. (2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/34007734\" target=\"_blank\">\"CANNABINOID CONUNDRUM:: A STUDY OF MARIJUANA AND HEMP LEGALITY IN THE UNITED STATES\"<\/a>. <i>Arizona Journal of Environmental Law & Policy<\/i> <b>10<\/b> (20): 132\u2013150. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2161-9050\" target=\"_blank\">2161-9050<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/8127630\/\" target=\"_blank\">8127630<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/34007734\" target=\"_blank\">34007734<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/pubmed.ncbi.nlm.nih.gov\/34007734\" target=\"_blank\">https:\/\/pubmed.ncbi.nlm.nih.gov\/34007734<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CANNABINOID+CONUNDRUM%3A%3A+A+STUDY+OF+MARIJUANA+AND+HEMP+LEGALITY+IN+THE+UNITED+STATES&rft.jtitle=Arizona+Journal+of+Environmental+Law+%26+Policy&rft.aulast=Dickson&rft.aufirst=Kennedy&rft.au=Dickson%2C%26%2332%3BKennedy&rft.au=Janasie%2C%26%2332%3BCatherine&rft.au=Willett%2C%26%2332%3BKristine+L.&rft.date=2019&rft.volume=10&rft.issue=20&rft.pages=132%E2%80%93150&rft.issn=2161-9050&rft_id=info:pmc\/8127630&rft_id=info:pmid\/34007734&rft_id=https%3A%2F%2Fpubmed.ncbi.nlm.nih.gov%2F34007734&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-42\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-42\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Jikomes, Nick; Zoorob, Michael (14 March 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-22755-2\" target=\"_blank\">\"The Cannabinoid Content of Legal Cannabis in Washington State Varies Systematically Across Testing Facilities and Popular Consumer Products\"<\/a> (in en). <i>Scientific Reports<\/i> <b>8<\/b> (1): 4519. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41598-018-22755-2\" target=\"_blank\">10.1038\/s41598-018-22755-2<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2045-2322\" target=\"_blank\">2045-2322<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5852027\/\" target=\"_blank\">PMC5852027<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/29540728\" target=\"_blank\">29540728<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-22755-2\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41598-018-22755-2<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+Cannabinoid+Content+of+Legal+Cannabis+in+Washington+State+Varies+Systematically+Across+Testing+Facilities+and+Popular+Consumer+Products&rft.jtitle=Scientific+Reports&rft.aulast=Jikomes&rft.aufirst=Nick&rft.au=Jikomes%2C%26%2332%3BNick&rft.au=Zoorob%2C%26%2332%3BMichael&rft.date=14+March+2018&rft.volume=8&rft.issue=1&rft.pages=4519&rft_id=info:doi\/10.1038%2Fs41598-018-22755-2&rft.issn=2045-2322&rft_id=info:pmc\/PMC5852027&rft_id=info:pmid\/29540728&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41598-018-22755-2&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-43\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-43\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Coughlin-Bogue, T. (28 April 2017). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.leafly.com\/news\/industry\/leafly-investigation-washingtons-top-cannabis-lab-inflating-thc-numbers\" target=\"_blank\">\"Leafly Investigation: Is Washington\u2019s Top Cannabis Lab Inflating THC Numbers?\"<\/a>. <i>Leafly<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.leafly.com\/news\/industry\/leafly-investigation-washingtons-top-cannabis-lab-inflating-thc-numbers\" target=\"_blank\">https:\/\/www.leafly.com\/news\/industry\/leafly-investigation-washingtons-top-cannabis-lab-inflating-thc-numbers<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 27 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Leafly+Investigation%3A+Is+Washington%E2%80%99s+Top+Cannabis+Lab+Inflating+THC+Numbers%3F&rft.atitle=Leafly&rft.aulast=Coughlin-Bogue%2C+T.&rft.au=Coughlin-Bogue%2C+T.&rft.date=28+April+2017&rft_id=https%3A%2F%2Fwww.leafly.com%2Fnews%2Findustry%2Fleafly-investigation-washingtons-top-cannabis-lab-inflating-thc-numbers&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-44\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-44\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Belackova, Vendula (1 March 2020). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1177\/0091450919897658\" target=\"_blank\">\"\u201cThe Good, the Bad, and the Ugly Weed\u201d: How Consumers in Four Different Policy Settings Define the Quality of Illicit Cannabis\"<\/a> (in en). <i>Contemporary Drug Problems<\/i> <b>47<\/b> (1): 43\u201362. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1177%2F0091450919897658\" target=\"_blank\">10.1177\/0091450919897658<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0091-4509\" target=\"_blank\">0091-4509<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/journals.sagepub.com\/doi\/10.1177\/0091450919897658\" target=\"_blank\">http:\/\/journals.sagepub.com\/doi\/10.1177\/0091450919897658<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=%E2%80%9CThe+Good%2C+the+Bad%2C+and+the+Ugly+Weed%E2%80%9D%3A+How+Consumers+in+Four+Different+Policy+Settings+Define+the+Quality+of+Illicit+Cannabis&rft.jtitle=Contemporary+Drug+Problems&rft.aulast=Belackova&rft.aufirst=Vendula&rft.au=Belackova%2C%26%2332%3BVendula&rft.date=1+March+2020&rft.volume=47&rft.issue=1&rft.pages=43%E2%80%9362&rft_id=info:doi\/10.1177%2F0091450919897658&rft.issn=0091-4509&rft_id=http%3A%2F%2Fjournals.sagepub.com%2Fdoi%2F10.1177%2F0091450919897658&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-45\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-45\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Bidwell, L. Cinnamon; Ellingson, Jarrod M.; Karoly, Hollis C.; YorkWilliams, Sophie L.; Hitchcock, Leah N.; Tracy, Brian L.; Klawitter, Jost; Sempio, Cristina <i>et al.<\/i> (1 August 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/jamanetwork.com\/journals\/jamapsychiatry\/fullarticle\/2767219\" target=\"_blank\">\"Association of Naturalistic Administration of Cannabis Flower and Concentrates With Intoxication and Impairment\"<\/a> (in en). <i>JAMA Psychiatry<\/i> <b>77<\/b> (8): 787. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1001%2Fjamapsychiatry.2020.0927\" target=\"_blank\">10.1001\/jamapsychiatry.2020.0927<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2168-622X\" target=\"_blank\">2168-622X<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7287943\/\" target=\"_blank\">PMC7287943<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32520316\" target=\"_blank\">32520316<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/jamanetwork.com\/journals\/jamapsychiatry\/fullarticle\/2767219\" target=\"_blank\">https:\/\/jamanetwork.com\/journals\/jamapsychiatry\/fullarticle\/2767219<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Association+of+Naturalistic+Administration+of+Cannabis+Flower+and+Concentrates+With+Intoxication+and+Impairment&rft.jtitle=JAMA+Psychiatry&rft.aulast=Bidwell&rft.aufirst=L.+Cinnamon&rft.au=Bidwell%2C%26%2332%3BL.+Cinnamon&rft.au=Ellingson%2C%26%2332%3BJarrod+M.&rft.au=Karoly%2C%26%2332%3BHollis+C.&rft.au=YorkWilliams%2C%26%2332%3BSophie+L.&rft.au=Hitchcock%2C%26%2332%3BLeah+N.&rft.au=Tracy%2C%26%2332%3BBrian+L.&rft.au=Klawitter%2C%26%2332%3BJost&rft.au=Sempio%2C%26%2332%3BCristina&rft.au=Bryan%2C%26%2332%3BAngela+D.&rft.date=1+August+2020&rft.volume=77&rft.issue=8&rft.pages=787&rft_id=info:doi\/10.1001%2Fjamapsychiatry.2020.0927&rft.issn=2168-622X&rft_id=info:pmc\/PMC7287943&rft_id=info:pmid\/32520316&rft_id=https%3A%2F%2Fjamanetwork.com%2Fjournals%2Fjamapsychiatry%2Ffullarticle%2F2767219&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-46\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-46\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Giannoukos, S; Agapiou, A; Taylor, S (17 January 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/aa95dd\" target=\"_blank\">\"Advances in chemical sensing technologies for VOCs in breath for security\/threat assessment, illicit drug detection, and human trafficking activity\"<\/a>. <i>Journal of Breath Research<\/i> <b>12<\/b> (2): 027106. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1088%2F1752-7163%2Faa95dd\" target=\"_blank\">10.1088\/1752-7163\/aa95dd<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1752-7163\" target=\"_blank\">1752-7163<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/aa95dd\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/aa95dd<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Advances+in+chemical+sensing+technologies+for+VOCs+in+breath+for+security%2Fthreat+assessment%2C+illicit+drug+detection%2C+and+human+trafficking+activity&rft.jtitle=Journal+of+Breath+Research&rft.aulast=Giannoukos&rft.aufirst=S&rft.au=Giannoukos%2C%26%2332%3BS&rft.au=Agapiou%2C%26%2332%3BA&rft.au=Taylor%2C%26%2332%3BS&rft.date=17+January+2018&rft.volume=12&rft.issue=2&rft.pages=027106&rft_id=info:doi\/10.1088%2F1752-7163%2Faa95dd&rft.issn=1752-7163&rft_id=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F1752-7163%2Faa95dd&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-47\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-47\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Blake, Alexia; Nahtigal, Istok (1 August 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2214799319300141\" target=\"_blank\">\"The evolving landscape of cannabis edibles\"<\/a> (in en). <i>Current Opinion in Food Science<\/i> <b>28<\/b>: 25\u201331. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.cofs.2019.03.009\" target=\"_blank\">10.1016\/j.cofs.2019.03.009<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2214799319300141\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2214799319300141<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+evolving+landscape+of+cannabis+edibles&rft.jtitle=Current+Opinion+in+Food+Science&rft.aulast=Blake&rft.aufirst=Alexia&rft.au=Blake%2C%26%2332%3BAlexia&rft.au=Nahtigal%2C%26%2332%3BIstok&rft.date=1+August+2019&rft.volume=28&rft.pages=25%E2%80%9331&rft_id=info:doi\/10.1016%2Fj.cofs.2019.03.009&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2214799319300141&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-48\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-48\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Potter, David J. (1 January 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/dta.1531\" target=\"_blank\">\"A review of the cultivation and processing of cannabis ( Cannabis sativa L.) for production of prescription medicines in the UK\"<\/a> (in en). <i>Drug Testing and Analysis<\/i> <b>6<\/b> (1-2): 31\u201338. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fdta.1531\" target=\"_blank\">10.1002\/dta.1531<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1942-7603\" target=\"_blank\">1942-7603<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/dta.1531\" target=\"_blank\">https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/dta.1531<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+review+of+the+cultivation+and+processing+of+cannabis+%28+Cannabis+sativa+L.%29+for+production+of+prescription+medicines+in+the+UK&rft.jtitle=Drug+Testing+and+Analysis&rft.aulast=Potter&rft.aufirst=David+J.&rft.au=Potter%2C%26%2332%3BDavid+J.&rft.date=1+January+2014&rft.volume=6&rft.issue=1-2&rft.pages=31%E2%80%9338&rft_id=info:doi\/10.1002%2Fdta.1531&rft.issn=1942-7603&rft_id=https%3A%2F%2Fanalyticalsciencejournals.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fdta.1531&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:27-49\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:27_49-0\">49.0<\/a><\/sup> <sup><a href=\"#cite_ref-:27_49-1\">49.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Peschel, Wieland (18 April 2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.mdpi.com\/2218-0532\/84\/3\/567\" target=\"_blank\">\"Quality Control of Traditional Cannabis Tinctures: Pattern, Markers, and Stability\"<\/a> (in en). <i>Scientia Pharmaceutica<\/i> <b>84<\/b> (3): 567\u2013584. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Fscipharm84030567\" target=\"_blank\">10.3390\/scipharm84030567<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2218-0532\" target=\"_blank\">2218-0532<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC5064247\/\" target=\"_blank\">PMC5064247<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/28117322\" target=\"_blank\">28117322<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.mdpi.com\/2218-0532\/84\/3\/567\" target=\"_blank\">http:\/\/www.mdpi.com\/2218-0532\/84\/3\/567<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Quality+Control+of+Traditional+Cannabis+Tinctures%3A+Pattern%2C+Markers%2C+and+Stability&rft.jtitle=Scientia+Pharmaceutica&rft.aulast=Peschel&rft.aufirst=Wieland&rft.au=Peschel%2C%26%2332%3BWieland&rft.date=18+April+2016&rft.volume=84&rft.issue=3&rft.pages=567%E2%80%93584&rft_id=info:doi\/10.3390%2Fscipharm84030567&rft.issn=2218-0532&rft_id=info:pmc\/PMC5064247&rft_id=info:pmid\/28117322&rft_id=http%3A%2F%2Fwww.mdpi.com%2F2218-0532%2F84%2F3%2F567&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-50\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-50\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Turek, Claudia; Stintzing, Florian C. (1 January 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/ift.onlinelibrary.wiley.com\/doi\/10.1111\/1541-4337.12006\" target=\"_blank\">\"Stability of Essential Oils: A Review\"<\/a> (in en). <i>Comprehensive Reviews in Food Science and Food Safety<\/i> <b>12<\/b> (1): 40\u201353. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2F1541-4337.12006\" target=\"_blank\">10.1111\/1541-4337.12006<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1541-4337\" target=\"_blank\">1541-4337<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/ift.onlinelibrary.wiley.com\/doi\/10.1111\/1541-4337.12006\" target=\"_blank\">https:\/\/ift.onlinelibrary.wiley.com\/doi\/10.1111\/1541-4337.12006<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Stability+of+Essential+Oils%3A+A+Review&rft.jtitle=Comprehensive+Reviews+in+Food+Science+and+Food+Safety&rft.aulast=Turek&rft.aufirst=Claudia&rft.au=Turek%2C%26%2332%3BClaudia&rft.au=Stintzing%2C%26%2332%3BFlorian+C.&rft.date=1+January+2013&rft.volume=12&rft.issue=1&rft.pages=40%E2%80%9353&rft_id=info:doi\/10.1111%2F1541-4337.12006&rft.issn=1541-4337&rft_id=https%3A%2F%2Fift.onlinelibrary.wiley.com%2Fdoi%2F10.1111%2F1541-4337.12006&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-51\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-51\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Marchini, Marie; Charvoz, C\u00e9line; Dujourdy, Laurence; Baldovini, Nicolas; Filippi, Jean-Jacques (1 November 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021967314016173\" target=\"_blank\">\"Multidimensional analysis of cannabis volatile constituents: Identification of 5,5-dimethyl-1-vinylbicyclo[2.1.1<\/a>hexane as a volatile marker of hashish, the resin of Cannabis sativa L.\"] (in en). <i>Journal of Chromatography A<\/i> <b>1370<\/b>: 200\u2013215. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.chroma.2014.10.045\" target=\"_blank\">10.1016\/j.chroma.2014.10.045<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021967314016173\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021967314016173<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Multidimensional+analysis+of+cannabis+volatile+constituents%3A+Identification+of+5%2C5-dimethyl-1-vinylbicyclo%5B2.1.1%5Dhexane+as+a+volatile+marker+of+hashish%2C+the+resin+of+Cannabis+sativa+L.&rft.jtitle=Journal+of+Chromatography+A&rft.aulast=Marchini&rft.aufirst=Marie&rft.au=Marchini%2C%26%2332%3BMarie&rft.au=Charvoz%2C%26%2332%3BC%C3%A9line&rft.au=Dujourdy%2C%26%2332%3BLaurence&rft.au=Baldovini%2C%26%2332%3BNicolas&rft.au=Filippi%2C%26%2332%3BJean-Jacques&rft.date=1+November+2014&rft.volume=1370&rft.pages=200%E2%80%93215&rft_id=info:doi\/10.1016%2Fj.chroma.2014.10.045&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0021967314016173&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-52\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-52\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Calvi, Lorenzo; Pentimalli, Daniela; Panseri, Sara; Giupponi, Luca; Gelmini, Fabrizio; Beretta, Giangiacomo; Vitali, Davide; Bruno, Massimo <i>et al.<\/i> (1 February 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086\" target=\"_blank\">\"Comprehensive quality evaluation of medical Cannabis sativa L. inflorescence and macerated oils based on HS-SPME coupled to GC\u2013MS and LC-HRMS (q-exactive orbitrap\u00ae) approach\"<\/a> (in en). <i>Journal of Pharmaceutical and Biomedical Analysis<\/i> <b>150<\/b>: 208\u2013219. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jpba.2017.11.073\" target=\"_blank\">10.1016\/j.jpba.2017.11.073<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Comprehensive+quality+evaluation+of+medical+Cannabis+sativa+L.+inflorescence+and+macerated+oils+based+on+HS-SPME+coupled+to+GC%E2%80%93MS+and+LC-HRMS+%28q-exactive+orbitrap%C2%AE%29+approach&rft.jtitle=Journal+of+Pharmaceutical+and+Biomedical+Analysis&rft.aulast=Calvi&rft.aufirst=Lorenzo&rft.au=Calvi%2C%26%2332%3BLorenzo&rft.au=Pentimalli%2C%26%2332%3BDaniela&rft.au=Panseri%2C%26%2332%3BSara&rft.au=Giupponi%2C%26%2332%3BLuca&rft.au=Gelmini%2C%26%2332%3BFabrizio&rft.au=Beretta%2C%26%2332%3BGiangiacomo&rft.au=Vitali%2C%26%2332%3BDavide&rft.au=Bruno%2C%26%2332%3BMassimo&rft.au=Zilio%2C%26%2332%3BEmanuela&rft.date=1+February+2018&rft.volume=150&rft.pages=208%E2%80%93219&rft_id=info:doi\/10.1016%2Fj.jpba.2017.11.073&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0731708517325086&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:28-53\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:28_53-0\">53.0<\/a><\/sup> <sup><a href=\"#cite_ref-:28_53-1\">53.1<\/a><\/sup> <sup><a href=\"#cite_ref-:28_53-2\">53.2<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Calvi, Lorenzo; Pentimalli, Daniela; Panseri, Sara; Giupponi, Luca; Gelmini, Fabrizio; Beretta, Giangiacomo; Vitali, Davide; Bruno, Massimo <i>et al.<\/i> (1 February 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086\" target=\"_blank\">\"Comprehensive quality evaluation of medical Cannabis sativa L. inflorescence and macerated oils based on HS-SPME coupled to GC\u2013MS and LC-HRMS (q-exactive orbitrap\u00ae) approach\"<\/a> (in en). <i>Journal of Pharmaceutical and Biomedical Analysis<\/i> <b>150<\/b>: 208\u2013219. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.jpba.2017.11.073\" target=\"_blank\">10.1016\/j.jpba.2017.11.073<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708517325086<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Comprehensive+quality+evaluation+of+medical+Cannabis+sativa+L.+inflorescence+and+macerated+oils+based+on+HS-SPME+coupled+to+GC%E2%80%93MS+and+LC-HRMS+%28q-exactive+orbitrap%C2%AE%29+approach&rft.jtitle=Journal+of+Pharmaceutical+and+Biomedical+Analysis&rft.aulast=Calvi&rft.aufirst=Lorenzo&rft.au=Calvi%2C%26%2332%3BLorenzo&rft.au=Pentimalli%2C%26%2332%3BDaniela&rft.au=Panseri%2C%26%2332%3BSara&rft.au=Giupponi%2C%26%2332%3BLuca&rft.au=Gelmini%2C%26%2332%3BFabrizio&rft.au=Beretta%2C%26%2332%3BGiangiacomo&rft.au=Vitali%2C%26%2332%3BDavide&rft.au=Bruno%2C%26%2332%3BMassimo&rft.au=Zilio%2C%26%2332%3BEmanuela&rft.date=1+February+2018&rft.volume=150&rft.pages=208%E2%80%93219&rft_id=info:doi\/10.1016%2Fj.jpba.2017.11.073&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0731708517325086&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-54\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-54\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Hanu\u0161, Lum\u00edr Ond\u0159ej; Meyer, Stefan Martin; Mu\u00f1oz, Eduardo; Taglialatela-Scafati, Orazio; Appendino, Giovanni (2016). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/xlink.rsc.org\/?DOI=C6NP00074F\" target=\"_blank\">\"Phytocannabinoids: a unified critical inventory\"<\/a> (in en). <i>Natural Product Reports<\/i> <b>33<\/b> (12): 1357\u20131392. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1039%2FC6NP00074F\" target=\"_blank\">10.1039\/C6NP00074F<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0265-0568\" target=\"_blank\">0265-0568<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/xlink.rsc.org\/?DOI=C6NP00074F\" target=\"_blank\">http:\/\/xlink.rsc.org\/?DOI=C6NP00074F<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Phytocannabinoids%3A+a+unified+critical+inventory&rft.jtitle=Natural+Product+Reports&rft.aulast=Hanu%C5%A1&rft.aufirst=Lum%C3%ADr+Ond%C5%99ej&rft.au=Hanu%C5%A1%2C%26%2332%3BLum%C3%ADr+Ond%C5%99ej&rft.au=Meyer%2C%26%2332%3BStefan+Martin&rft.au=Mu%C3%B1oz%2C%26%2332%3BEduardo&rft.au=Taglialatela-Scafati%2C%26%2332%3BOrazio&rft.au=Appendino%2C%26%2332%3BGiovanni&rft.date=2016&rft.volume=33&rft.issue=12&rft.pages=1357%E2%80%931392&rft_id=info:doi\/10.1039%2FC6NP00074F&rft.issn=0265-0568&rft_id=http%3A%2F%2Fxlink.rsc.org%2F%3FDOI%3DC6NP00074F&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:29-55\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:29_55-0\">55.0<\/a><\/sup> <sup><a href=\"#cite_ref-:29_55-1\">55.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation book\">WHO Expert Committee on Drug Dependence; World Health Organization, eds. (2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.worldcat.org\/title\/mediawiki\/oclc\/on1102780421\" target=\"_blank\"><i>WHO Expert Committee on Drug Dependence: fortieth report<\/i><\/a>. WHO technical report series. Geneva: World Health Organization. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-92-4-121022-5. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Online_Computer_Library_Center\" data-key=\"b53206e2204c7e657858a88b56c8ac4a\">OCLC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/oclc\/on1102780421\" target=\"_blank\">on1102780421<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.worldcat.org\/title\/mediawiki\/oclc\/on1102780421\" target=\"_blank\">https:\/\/www.worldcat.org\/title\/mediawiki\/oclc\/on1102780421<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=book&rft.btitle=WHO+Expert+Committee+on+Drug+Dependence%3A+fortieth+report&rft.date=2019&rft.series=WHO+technical+report+series&rft.place=Geneva&rft.pub=World+Health+Organization&rft.isbn=978-92-4-121022-5&rft_id=info:oclcnum\/on1102780421&rft_id=https%3A%2F%2Fwww.worldcat.org%2Ftitle%2Fmediawiki%2Foclc%2Fon1102780421&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-56\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-56\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Citti, Cinzia; Russo, Fabiana; Sgr\u00f2, Salvatore; Gallo, Alfonso; Zanotto, Antonio; Forni, Flavio; Vandelli, Maria Angela; Lagan\u00e0, Aldo <i>et al.<\/i> (1 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/link.springer.com\/10.1007\/s00216-020-02554-3\" target=\"_blank\">\"Pitfalls in the analysis of phytocannabinoids in cannabis inflorescence\"<\/a> (in en). <i>Analytical and Bioanalytical Chemistry<\/i> <b>412<\/b> (17): 4009\u20134022. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1007%2Fs00216-020-02554-3\" target=\"_blank\">10.1007\/s00216-020-02554-3<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1618-2642\" target=\"_blank\">1618-2642<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/link.springer.com\/10.1007\/s00216-020-02554-3\" target=\"_blank\">https:\/\/link.springer.com\/10.1007\/s00216-020-02554-3<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Pitfalls+in+the+analysis+of+phytocannabinoids+in+cannabis+inflorescence&rft.jtitle=Analytical+and+Bioanalytical+Chemistry&rft.aulast=Citti&rft.aufirst=Cinzia&rft.au=Citti%2C%26%2332%3BCinzia&rft.au=Russo%2C%26%2332%3BFabiana&rft.au=Sgr%C3%B2%2C%26%2332%3BSalvatore&rft.au=Gallo%2C%26%2332%3BAlfonso&rft.au=Zanotto%2C%26%2332%3BAntonio&rft.au=Forni%2C%26%2332%3BFlavio&rft.au=Vandelli%2C%26%2332%3BMaria+Angela&rft.au=Lagan%C3%A0%2C%26%2332%3BAldo&rft.au=Montone%2C%26%2332%3BCarmela+Maria&rft.date=1+July+2020&rft.volume=412&rft.issue=17&rft.pages=4009%E2%80%934022&rft_id=info:doi\/10.1007%2Fs00216-020-02554-3&rft.issn=1618-2642&rft_id=https%3A%2F%2Flink.springer.com%2F10.1007%2Fs00216-020-02554-3&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-57\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-57\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zawilska, Jolanta B.; Wojcieszak, Jakub (1 March 2014). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/ijnp\/article-lookup\/doi\/10.1017\/S1461145713001247\" target=\"_blank\">\"Spice\/K2 drugs \u2013 more than innocent substitutes for marijuana\"<\/a> (in en). <i>The International Journal of Neuropsychopharmacology<\/i> <b>17<\/b> (03): 509\u2013525. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1017%2FS1461145713001247\" target=\"_blank\">10.1017\/S1461145713001247<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1461-1457\" target=\"_blank\">1461-1457<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/ijnp\/article-lookup\/doi\/10.1017\/S1461145713001247\" target=\"_blank\">https:\/\/academic.oup.com\/ijnp\/article-lookup\/doi\/10.1017\/S1461145713001247<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Spice%2FK2+drugs+%E2%80%93+more+than+innocent+substitutes+for+marijuana&rft.jtitle=The+International+Journal+of+Neuropsychopharmacology&rft.aulast=Zawilska&rft.aufirst=Jolanta+B.&rft.au=Zawilska%2C%26%2332%3BJolanta+B.&rft.au=Wojcieszak%2C%26%2332%3BJakub&rft.date=1+March+2014&rft.volume=17&rft.issue=03&rft.pages=509%E2%80%93525&rft_id=info:doi\/10.1017%2FS1461145713001247&rft.issn=1461-1457&rft_id=https%3A%2F%2Facademic.oup.com%2Fijnp%2Farticle-lookup%2Fdoi%2F10.1017%2FS1461145713001247&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-58\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-58\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">McPartland, John M.; Blanchon, Dan J.; Musty, Richard E. (1 September 2008). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1369-1600.2008.00126.x\" target=\"_blank\">\"CLINICAL STUDY: Cannabimimetic effects modulated by cholinergic compounds\"<\/a> (in en). <i>Addiction Biology<\/i> <b>13<\/b> (3-4): 411\u2013415. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1111%2Fj.1369-1600.2008.00126.x\" target=\"_blank\">10.1111\/j.1369-1600.2008.00126.x<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1355-6215\" target=\"_blank\">1355-6215<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1369-1600.2008.00126.x\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/j.1369-1600.2008.00126.x<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=CLINICAL+STUDY%3A+Cannabimimetic+effects+modulated+by+cholinergic+compounds&rft.jtitle=Addiction+Biology&rft.aulast=McPartland&rft.aufirst=John+M.&rft.au=McPartland%2C%26%2332%3BJohn+M.&rft.au=Blanchon%2C%26%2332%3BDan+J.&rft.au=Musty%2C%26%2332%3BRichard+E.&rft.date=1+September+2008&rft.volume=13&rft.issue=3-4&rft.pages=411%E2%80%93415&rft_id=info:doi\/10.1111%2Fj.1369-1600.2008.00126.x&rft.issn=1355-6215&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1111%2Fj.1369-1600.2008.00126.x&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-59\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-59\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Meehan-Atrash, Jiries; Strongin, Robert M. (1 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073820301638\" target=\"_blank\">\"Pine rosin identified as a toxic cannabis extract adulterant\"<\/a> (in en). <i>Forensic Science International<\/i> <b>312<\/b>: 110301. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.forsciint.2020.110301\" target=\"_blank\">10.1016\/j.forsciint.2020.110301<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7426011\/\" target=\"_blank\">PMC7426011<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32460222\" target=\"_blank\">32460222<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073820301638\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0379073820301638<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Pine+rosin+identified+as+a+toxic+cannabis+extract+adulterant&rft.jtitle=Forensic+Science+International&rft.aulast=Meehan-Atrash&rft.aufirst=Jiries&rft.au=Meehan-Atrash%2C%26%2332%3BJiries&rft.au=Strongin%2C%26%2332%3BRobert+M.&rft.date=1+July+2020&rft.volume=312&rft.pages=110301&rft_id=info:doi\/10.1016%2Fj.forsciint.2020.110301&rft_id=info:pmc\/PMC7426011&rft_id=info:pmid\/32460222&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0379073820301638&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:30-60\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:30_60-0\">60.0<\/a><\/sup> <sup><a href=\"#cite_ref-:30_60-1\">60.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Duffy, Bryan; Li, Lingyun; Lu, Shijun; Durocher, Lorie; Dittmar, Mark; Delaney-Baldwin, Emily; Panawennage, Deepika; LeMaster, David <i>et al.<\/i> (24 January 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2305-6304\/8\/1\/8\" target=\"_blank\">\"Analysis of Cannabinoid-Containing Fluids in Illicit Vaping Cartridges Recovered from Pulmonary Injury Patients: Identification of Vitamin E Acetate as a Major Diluent\"<\/a> (in en). <i>Toxics<\/i> <b>8<\/b> (1): 8. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Ftoxics8010008\" target=\"_blank\">10.3390\/toxics8010008<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2305-6304\" target=\"_blank\">2305-6304<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7151740\/\" target=\"_blank\">PMC7151740<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/31991538\" target=\"_blank\">31991538<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2305-6304\/8\/1\/8\" target=\"_blank\">https:\/\/www.mdpi.com\/2305-6304\/8\/1\/8<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Analysis+of+Cannabinoid-Containing+Fluids+in+Illicit+Vaping+Cartridges+Recovered+from+Pulmonary+Injury+Patients%3A+Identification+of+Vitamin+E+Acetate+as+a+Major+Diluent&rft.jtitle=Toxics&rft.aulast=Duffy&rft.aufirst=Bryan&rft.au=Duffy%2C%26%2332%3BBryan&rft.au=Li%2C%26%2332%3BLingyun&rft.au=Lu%2C%26%2332%3BShijun&rft.au=Durocher%2C%26%2332%3BLorie&rft.au=Dittmar%2C%26%2332%3BMark&rft.au=Delaney-Baldwin%2C%26%2332%3BEmily&rft.au=Panawennage%2C%26%2332%3BDeepika&rft.au=LeMaster%2C%26%2332%3BDavid&rft.au=Navarette%2C%26%2332%3BKristen&rft.date=24+January+2020&rft.volume=8&rft.issue=1&rft.pages=8&rft_id=info:doi\/10.3390%2Ftoxics8010008&rft.issn=2305-6304&rft_id=info:pmc\/PMC7151740&rft_id=info:pmid\/31991538&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2305-6304%2F8%2F1%2F8&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-61\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-61\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Mika, Otakar J.; Weissmannova-Dolezalova, Helena; Fiserova, Lenka (1 September 2014). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.tandfonline.com\/doi\/full\/10.3109\/15569543.2014.883408\" target=\"_blank\">\"Mass methanol poisonings in the Czech Republic\"<\/a> (in en). <i>Toxin Reviews<\/i> <b>33<\/b> (3): 101\u2013106. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3109%2F15569543.2014.883408\" target=\"_blank\">10.3109\/15569543.2014.883408<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1556-9543\" target=\"_blank\">1556-9543<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/www.tandfonline.com\/doi\/full\/10.3109\/15569543.2014.883408\" target=\"_blank\">http:\/\/www.tandfonline.com\/doi\/full\/10.3109\/15569543.2014.883408<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Mass+methanol+poisonings+in+the+Czech+Republic&rft.jtitle=Toxin+Reviews&rft.aulast=Mika&rft.aufirst=Otakar+J.&rft.au=Mika%2C%26%2332%3BOtakar+J.&rft.au=Weissmannova-Dolezalova%2C%26%2332%3BHelena&rft.au=Fiserova%2C%26%2332%3BLenka&rft.date=1+September+2014&rft.volume=33&rft.issue=3&rft.pages=101%E2%80%93106&rft_id=info:doi\/10.3109%2F15569543.2014.883408&rft.issn=1556-9543&rft_id=http%3A%2F%2Fwww.tandfonline.com%2Fdoi%2Ffull%2F10.3109%2F15569543.2014.883408&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:31-62\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:31_62-0\">62.0<\/a><\/sup> <sup><a href=\"#cite_ref-:31_62-1\">62.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Pei, Xiaofang; Tandon, Annuradha; Alldrick, Anton; Giorgi, Liana; Huang, Wei; Yang, Ruijia (1 June 2011). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0306919211000479\" target=\"_blank\">\"The China melamine milk scandal and its implications for food safety regulation\"<\/a> (in en). <i>Food Policy<\/i> <b>36<\/b> (3): 412\u2013420. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.foodpol.2011.03.008\" target=\"_blank\">10.1016\/j.foodpol.2011.03.008<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0306919211000479\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0306919211000479<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+China+melamine+milk+scandal+and+its+implications+for+food+safety+regulation&rft.jtitle=Food+Policy&rft.aulast=Pei&rft.aufirst=Xiaofang&rft.au=Pei%2C%26%2332%3BXiaofang&rft.au=Tandon%2C%26%2332%3BAnnuradha&rft.au=Alldrick%2C%26%2332%3BAnton&rft.au=Giorgi%2C%26%2332%3BLiana&rft.au=Huang%2C%26%2332%3BWei&rft.au=Yang%2C%26%2332%3BRuijia&rft.date=1+June+2011&rft.volume=36&rft.issue=3&rft.pages=412%E2%80%93420&rft_id=info:doi\/10.1016%2Fj.foodpol.2011.03.008&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0306919211000479&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-63\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-63\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Elahi, S. (12 March 2019). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.foodauthenticity.global\/blog\/cwa-17369-2019-authenticity-and-fraud-in-the-feed-and-food-chain-\" target=\"_blank\">\"CEN Workshop Agreement (CWA) 17369:2019 - Authenticity and fraud in the feed and food chain. Concepts, terms, and definitions is published\"<\/a>. Food Authenticity Network<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.foodauthenticity.global\/blog\/cwa-17369-2019-authenticity-and-fraud-in-the-feed-and-food-chain-\" target=\"_blank\">https:\/\/www.foodauthenticity.global\/blog\/cwa-17369-2019-authenticity-and-fraud-in-the-feed-and-food-chain-<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 27 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=CEN+Workshop+Agreement+%28CWA%29+17369%3A2019+-+Authenticity+and+fraud+in+the+feed+and+food+chain.+Concepts%2C+terms%2C+and+definitions+is+published&rft.atitle=&rft.aulast=Elahi%2C+S.&rft.au=Elahi%2C+S.&rft.date=12+March+2019&rft.pub=Food+Authenticity+Network&rft_id=https%3A%2F%2Fwww.foodauthenticity.global%2Fblog%2Fcwa-17369-2019-authenticity-and-fraud-in-the-feed-and-food-chain-&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-64\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-64\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation book\">Eurofins Analytics France; Morin, Jean-Fran\u00e7ois; Lees, Mich\u00e8le, eds. (14 November 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/secure.fera.defra.gov.uk\/foodintegrity\/index.cfm?sectionid=83\" target=\"_blank\">\"Forewords & Introduction\"<\/a>. <i>FoodIntegrity Handbook: A guide to food authenticity issues and analytical solutions<\/i> (1 ed.). Eurofins Analytics France. pp. 5\u201317. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.32741%2Ffihb\" target=\"_blank\">10.32741\/fihb<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Book_Number\" data-key=\"f64947ba21e884434bd70e8d9e60bae6\">ISBN<\/a> 978-2-9566303-1-9<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/secure.fera.defra.gov.uk\/foodintegrity\/index.cfm?sectionid=83\" target=\"_blank\">https:\/\/secure.fera.defra.gov.uk\/foodintegrity\/index.cfm?sectionid=83<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Forewords+%26+Introduction&rft.atitle=FoodIntegrity+Handbook%3A+A+guide+to+food+authenticity+issues+and+analytical+solutions&rft.date=14+November+2018&rft.pages=pp.%26nbsp%3B5%E2%80%9317&rft.edition=1&rft.pub=Eurofins+Analytics+France&rft_id=info:doi\/10.32741%2Ffihb&rft.isbn=978-2-9566303-1-9&rft_id=https%3A%2F%2Fsecure.fera.defra.gov.uk%2Ffoodintegrity%2Findex.cfm%3Fsectionid%3D83&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-65\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-65\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Codex Committee on Food Import and Export Inspection and Certification Systems (August 2018). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.fao.org\/fao-who-codexalimentarius\/sh-proxy\/en\/?lnk=1&url=https%253A%252F%252Fworkspace.fao.org%252Fsites%252Fcodex%252FMeetings%252FCX-733-24%252FWorking%2BDocuments%252Ffc24_07e.pdf\" target=\"_blank\">\"Discussion Paper on Food Integrity and Food Authenticity\"<\/a> (PDF). 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Retrieved 27 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=European+Food+Safety+Authority+-+Science%2C+Food%2C+Sustainability&rft.atitle=&rft.date=2023&rft.pub=European+Food+Safety+Authority&rft_id=https%3A%2F%2Fwww.efsa.europa.eu%2Fen&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-68\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-68\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wadood, Syed Abdul; Boli, Guo; Xiaowen, Zhang; Hussain, Imtiaz; Yimin, Wei (1 January 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0026265X19319277\" target=\"_blank\">\"Recent development in the application of analytical techniques for the traceability and authenticity of food of plant origin\"<\/a> (in en). <i>Microchemical Journal<\/i> <b>152<\/b>: 104295. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.microc.2019.104295\" target=\"_blank\">10.1016\/j.microc.2019.104295<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0026265X19319277\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0026265X19319277<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Recent+development+in+the+application+of+analytical+techniques+for+the+traceability+and+authenticity+of+food+of+plant+origin&rft.jtitle=Microchemical+Journal&rft.aulast=Wadood&rft.aufirst=Syed+Abdul&rft.au=Wadood%2C%26%2332%3BSyed+Abdul&rft.au=Boli%2C%26%2332%3BGuo&rft.au=Xiaowen%2C%26%2332%3BZhang&rft.au=Hussain%2C%26%2332%3BImtiaz&rft.au=Yimin%2C%26%2332%3BWei&rft.date=1+January+2020&rft.volume=152&rft.pages=104295&rft_id=info:doi\/10.1016%2Fj.microc.2019.104295&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0026265X19319277&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-69\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-69\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zhang, Xin-Ke; Lan, Yi-Bin; Huang, Yue; Zhao, Xu; Duan, Chang-Qing (1 March 2021). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620316575\" target=\"_blank\">\"Targeted metabolomics of anthocyanin derivatives during prolonged wine aging: Evolution, color contribution and aging prediction\"<\/a> (in en). <i>Food Chemistry<\/i> <b>339<\/b>: 127795. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.foodchem.2020.127795\" target=\"_blank\">10.1016\/j.foodchem.2020.127795<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620316575\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814620316575<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Targeted+metabolomics+of+anthocyanin+derivatives+during+prolonged+wine+aging%3A+Evolution%2C+color+contribution+and+aging+prediction&rft.jtitle=Food+Chemistry&rft.aulast=Zhang&rft.aufirst=Xin-Ke&rft.au=Zhang%2C%26%2332%3BXin-Ke&rft.au=Lan%2C%26%2332%3BYi-Bin&rft.au=Huang%2C%26%2332%3BYue&rft.au=Zhao%2C%26%2332%3BXu&rft.au=Duan%2C%26%2332%3BChang-Qing&rft.date=1+March+2021&rft.volume=339&rft.pages=127795&rft_id=info:doi\/10.1016%2Fj.foodchem.2020.127795&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0308814620316575&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-70\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-70\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Brigante, Federico I.; Lucini Mas, Agust\u00edn; Pigni, Natalia B.; Wunderlin, Daniel A.; Baroni, Mar\u00eda V. (1 May 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814619322071\" target=\"_blank\">\"Targeted metabolomics to assess the authenticity of bakery products containing chia, sesame and flax seeds\"<\/a> (in en). <i>Food Chemistry<\/i> <b>312<\/b>: 126059. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1016%2Fj.foodchem.2019.126059\" target=\"_blank\">10.1016\/j.foodchem.2019.126059<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814619322071\" target=\"_blank\">https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0308814619322071<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Targeted+metabolomics+to+assess+the+authenticity+of+bakery+products+containing+chia%2C+sesame+and+flax+seeds&rft.jtitle=Food+Chemistry&rft.aulast=Brigante&rft.aufirst=Federico+I.&rft.au=Brigante%2C%26%2332%3BFederico+I.&rft.au=Lucini+Mas%2C%26%2332%3BAgust%C3%ADn&rft.au=Pigni%2C%26%2332%3BNatalia+B.&rft.au=Wunderlin%2C%26%2332%3BDaniel+A.&rft.au=Baroni%2C%26%2332%3BMar%C3%ADa+V.&rft.date=1+May+2020&rft.volume=312&rft.pages=126059&rft_id=info:doi\/10.1016%2Fj.foodchem.2019.126059&rft_id=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0308814619322071&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-71\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-71\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Barbieri, Sara; Cevoli, Chiara; Bendini, Alessandra; Quintanilla-Casas, Beatriz; Garc\u00eda-Gonz\u00e1lez, Diego Luis; Gallina Toschi, Tullia (2 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2304-8158\/9\/7\/862\" target=\"_blank\">\"Flash Gas Chromatography in Tandem with Chemometrics: A Rapid Screening Tool for Quality Grades of Virgin Olive Oils\"<\/a> (in en). <i>Foods<\/i> <b>9<\/b> (7): 862. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Ffoods9070862\" target=\"_blank\">10.3390\/foods9070862<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2304-8158\" target=\"_blank\">2304-8158<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7404474\/\" target=\"_blank\">PMC7404474<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32630810\" target=\"_blank\">32630810<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2304-8158\/9\/7\/862\" target=\"_blank\">https:\/\/www.mdpi.com\/2304-8158\/9\/7\/862<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Flash+Gas+Chromatography+in+Tandem+with+Chemometrics%3A+A+Rapid+Screening+Tool+for+Quality+Grades+of+Virgin+Olive+Oils&rft.jtitle=Foods&rft.aulast=Barbieri&rft.aufirst=Sara&rft.au=Barbieri%2C%26%2332%3BSara&rft.au=Cevoli%2C%26%2332%3BChiara&rft.au=Bendini%2C%26%2332%3BAlessandra&rft.au=Quintanilla-Casas%2C%26%2332%3BBeatriz&rft.au=Garc%C3%ADa-Gonz%C3%A1lez%2C%26%2332%3BDiego+Luis&rft.au=Gallina+Toschi%2C%26%2332%3BTullia&rft.date=2+July+2020&rft.volume=9&rft.issue=7&rft.pages=862&rft_id=info:doi\/10.3390%2Ffoods9070862&rft.issn=2304-8158&rft_id=info:pmc\/PMC7404474&rft_id=info:pmid\/32630810&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2304-8158%2F9%2F7%2F862&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-72\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-72\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Segelke, Torben; Schelm, Stefanie; Ahlers, Christian; Fischer, Markus (13 July 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.mdpi.com\/2304-8158\/9\/7\/922\" target=\"_blank\">\"Food Authentication: Truffle (Tuber spp.) Species Differentiation by FT-NIR and Chemometrics\"<\/a> (in en). <i>Foods<\/i> <b>9<\/b> (7): 922. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.3390%2Ffoods9070922\" target=\"_blank\">10.3390\/foods9070922<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2304-8158\" target=\"_blank\">2304-8158<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7405009\/\" target=\"_blank\">PMC7405009<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/32668805\" target=\"_blank\">32668805<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.mdpi.com\/2304-8158\/9\/7\/922\" target=\"_blank\">https:\/\/www.mdpi.com\/2304-8158\/9\/7\/922<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Food+Authentication%3A+Truffle+%28Tuber+spp.%29+Species+Differentiation+by+FT-NIR+and+Chemometrics&rft.jtitle=Foods&rft.aulast=Segelke&rft.aufirst=Torben&rft.au=Segelke%2C%26%2332%3BTorben&rft.au=Schelm%2C%26%2332%3BStefanie&rft.au=Ahlers%2C%26%2332%3BChristian&rft.au=Fischer%2C%26%2332%3BMarkus&rft.date=13+July+2020&rft.volume=9&rft.issue=7&rft.pages=922&rft_id=info:doi\/10.3390%2Ffoods9070922&rft.issn=2304-8158&rft_id=info:pmc\/PMC7405009&rft_id=info:pmid\/32668805&rft_id=https%3A%2F%2Fwww.mdpi.com%2F2304-8158%2F9%2F7%2F922&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-73\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-73\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Wishart, David S; 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University of Alberta<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/foodb.ca\" target=\"_blank\">https:\/\/foodb.ca<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 27 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=FooDB&rft.atitle=&rft.pub=University+of+Alberta&rft_id=https%3A%2F%2Ffoodb.ca&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-75\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-75\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\"><a rel=\"external_link\" class=\"external text\" href=\"https:\/\/phytohub.eu\" target=\"_blank\">\"PhytoHub\"<\/a>. Institut National de la Recherche Agronomique. 2023<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/phytohub.eu\" target=\"_blank\">https:\/\/phytohub.eu<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 27 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=PhytoHub&rft.atitle=&rft.date=2023&rft.pub=Institut+National+de+la+Recherche+Agronomique&rft_id=https%3A%2F%2Fphytohub.eu&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-76\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-76\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Rothwell, J. A.; Perez-Jimenez, J.; Neveu, V.; Medina-Remon, A.; M'Hiri, N.; Garcia-Lobato, P.; Manach, C.; Knox, C. <i>et al.<\/i> (7 October 2013). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/database\/article-lookup\/doi\/10.1093\/database\/bat070\" target=\"_blank\">\"Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content\"<\/a> (in en). <i>Database<\/i> <b>2013<\/b> (0): bat070\u2013bat070. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fdatabase%2Fbat070\" target=\"_blank\">10.1093\/database\/bat070<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1758-0463\" target=\"_blank\">1758-0463<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3792339\/\" target=\"_blank\">PMC3792339<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/24103452\" target=\"_blank\">24103452<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/database\/article-lookup\/doi\/10.1093\/database\/bat070\" target=\"_blank\">https:\/\/academic.oup.com\/database\/article-lookup\/doi\/10.1093\/database\/bat070<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Phenol-Explorer+3.0%3A+a+major+update+of+the+Phenol-Explorer+database+to+incorporate+data+on+the+effects+of+food+processing+on+polyphenol+content&rft.jtitle=Database&rft.aulast=Rothwell&rft.aufirst=J.+A.&rft.au=Rothwell%2C%26%2332%3BJ.+A.&rft.au=Perez-Jimenez%2C%26%2332%3BJ.&rft.au=Neveu%2C%26%2332%3BV.&rft.au=Medina-Remon%2C%26%2332%3BA.&rft.au=M%27Hiri%2C%26%2332%3BN.&rft.au=Garcia-Lobato%2C%26%2332%3BP.&rft.au=Manach%2C%26%2332%3BC.&rft.au=Knox%2C%26%2332%3BC.&rft.au=Eisner%2C%26%2332%3BR.&rft.date=7+October+2013&rft.volume=2013&rft.issue=0&rft.pages=bat070%E2%80%93bat070&rft_id=info:doi\/10.1093%2Fdatabase%2Fbat070&rft.issn=1758-0463&rft_id=info:pmc\/PMC3792339&rft_id=info:pmid\/24103452&rft_id=https%3A%2F%2Facademic.oup.com%2Fdatabase%2Farticle-lookup%2Fdoi%2F10.1093%2Fdatabase%2Fbat070&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-77\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-77\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Ramirez-Gaona, Miguel; 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EMBL-EBI. 2022<span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.ebi.ac.uk\/metabolights\" target=\"_blank\">https:\/\/www.ebi.ac.uk\/metabolights<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 05 July 2022<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=MetaboLights&rft.atitle=&rft.date=2022&rft.pub=EMBL-EBI&rft_id=https%3A%2F%2Fwww.ebi.ac.uk%2Fmetabolights&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-79\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-79\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Kale, Namrata S.; Haug, Kenneth; Conesa, Pablo; Jayseelan, Kalaivani; Moreno, Pablo; Rocca\u2010Serra, Philippe; Nainala, Venkata Chandrasekhar; Spicer, Rachel A. <i>et al.<\/i> (1 March 2016). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/currentprotocols.onlinelibrary.wiley.com\/doi\/10.1002\/0471250953.bi1413s53\" target=\"_blank\">\"MetaboLights: An Open\u2010Access Database Repository for Metabolomics Data\"<\/a> (in en). <i>Current Protocols in Bioinformatics<\/i> <b>53<\/b> (1). <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2F0471250953.bi1413s53\" target=\"_blank\">10.1002\/0471250953.bi1413s53<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1934-3396\" target=\"_blank\">1934-3396<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/currentprotocols.onlinelibrary.wiley.com\/doi\/10.1002\/0471250953.bi1413s53\" target=\"_blank\">https:\/\/currentprotocols.onlinelibrary.wiley.com\/doi\/10.1002\/0471250953.bi1413s53<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=MetaboLights%3A+An+Open%E2%80%90Access+Database+Repository+for+Metabolomics+Data&rft.jtitle=Current+Protocols+in+Bioinformatics&rft.aulast=Kale&rft.aufirst=Namrata+S.&rft.au=Kale%2C%26%2332%3BNamrata+S.&rft.au=Haug%2C%26%2332%3BKenneth&rft.au=Conesa%2C%26%2332%3BPablo&rft.au=Jayseelan%2C%26%2332%3BKalaivani&rft.au=Moreno%2C%26%2332%3BPablo&rft.au=Rocca%E2%80%90Serra%2C%26%2332%3BPhilippe&rft.au=Nainala%2C%26%2332%3BVenkata+Chandrasekhar&rft.au=Spicer%2C%26%2332%3BRachel+A.&rft.au=Williams%2C%26%2332%3BMark&rft.date=1+March+2016&rft.volume=53&rft.issue=1&rft_id=info:doi\/10.1002%2F0471250953.bi1413s53&rft.issn=1934-3396&rft_id=https%3A%2F%2Fcurrentprotocols.onlinelibrary.wiley.com%2Fdoi%2F10.1002%2F0471250953.bi1413s53&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-80\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-80\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Haug, Kenneth; Salek, Reza M.; Conesa, Pablo; Hastings, Janna; de Matos, Paula; Rijnbeek, Mark; Mahendraker, Tejasvi; Williams, Mark <i>et al.<\/i> (1 January 2013). <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/academic.oup.com\/nar\/article\/41\/D1\/D781\/1050654\/MetaboLightsan-openaccess-generalpurpose\" target=\"_blank\">\"MetaboLights\u2014an open-access general-purpose repository for metabolomics studies and associated meta-data\"<\/a> (in en). <i>Nucleic Acids Research<\/i> <b>41<\/b> (D1): D781\u2013D786. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1093%2Fnar%2Fgks1004\" target=\"_blank\">10.1093\/nar\/gks1004<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0305-1048\" target=\"_blank\">0305-1048<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC3531110\/\" target=\"_blank\">PMC3531110<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/23109552\" target=\"_blank\">23109552<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"http:\/\/academic.oup.com\/nar\/article\/41\/D1\/D781\/1050654\/MetaboLightsan-openaccess-generalpurpose\" target=\"_blank\">http:\/\/academic.oup.com\/nar\/article\/41\/D1\/D781\/1050654\/MetaboLightsan-openaccess-generalpurpose<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=MetaboLights%E2%80%94an+open-access+general-purpose+repository+for+metabolomics+studies+and+associated+meta-data&rft.jtitle=Nucleic+Acids+Research&rft.aulast=Haug&rft.aufirst=Kenneth&rft.au=Haug%2C%26%2332%3BKenneth&rft.au=Salek%2C%26%2332%3BReza+M.&rft.au=Conesa%2C%26%2332%3BPablo&rft.au=Hastings%2C%26%2332%3BJanna&rft.au=de+Matos%2C%26%2332%3BPaula&rft.au=Rijnbeek%2C%26%2332%3BMark&rft.au=Mahendraker%2C%26%2332%3BTejasvi&rft.au=Williams%2C%26%2332%3BMark&rft.au=Neumann%2C%26%2332%3BSteffen&rft.date=1+January+2013&rft.volume=41&rft.issue=D1&rft.pages=D781%E2%80%93D786&rft_id=info:doi\/10.1093%2Fnar%2Fgks1004&rft.issn=0305-1048&rft_id=info:pmc\/PMC3531110&rft_id=info:pmid\/23109552&rft_id=http%3A%2F%2Facademic.oup.com%2Fnar%2Farticle%2F41%2FD1%2FD781%2F1050654%2FMetaboLightsan-openaccess-generalpurpose&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-:32-81\"><span class=\"mw-cite-backlink\">\u2191 <sup><a href=\"#cite_ref-:32_81-0\">81.0<\/a><\/sup> <sup><a href=\"#cite_ref-:32_81-1\">81.1<\/a><\/sup><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Sarma, Nandakumara D.; 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Brown, Paula N (1 April 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/academic.oup.com\/jaoac\/article\/103\/2\/489\/5822898\" target=\"_blank\">\"Determination of Cannabinoids in Cannabis sativa Dried Flowers and Oils by LC-UV: Single-Laboratory Validation, First Action 2018.10\"<\/a> (in en). <i>Journal of AOAC INTERNATIONAL<\/i> <b>103<\/b> (2): 489\u2013493. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.5740%2Fjaoacint.19-0197\" target=\"_blank\">10.5740\/jaoacint.19-0197<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/1060-3271\" target=\"_blank\">1060-3271<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/academic.oup.com\/jaoac\/article\/103\/2\/489\/5822898\" target=\"_blank\">https:\/\/academic.oup.com\/jaoac\/article\/103\/2\/489\/5822898<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Determination+of+Cannabinoids+in+Cannabis+sativa+Dried+Flowers+and+Oils+by+LC-UV%3A+Single-Laboratory+Validation%2C+First+Action+2018.10&rft.jtitle=Journal+of+AOAC+INTERNATIONAL&rft.aulast=Mudge&rft.aufirst=Elizabeth+M&rft.au=Mudge%2C%26%2332%3BElizabeth+M&rft.au=Brown%2C%26%2332%3BPaula+N&rft.date=1+April+2020&rft.volume=103&rft.issue=2&rft.pages=489%E2%80%93493&rft_id=info:doi\/10.5740%2Fjaoacint.19-0197&rft.issn=1060-3271&rft_id=https%3A%2F%2Facademic.oup.com%2Fjaoac%2Farticle%2F103%2F2%2F489%2F5822898&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-83\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-83\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Creydt, Marina; 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(1 July 2001). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ffj.993\" target=\"_blank\">\"Essential oils of different cultivars ofCannabis sativa L. and their antimicrobial activity\"<\/a> (in en). <i>Flavour and Fragrance Journal<\/i> <b>16<\/b> (4): 259\u2013262. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1002%2Fffj.993\" target=\"_blank\">10.1002\/ffj.993<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/0882-5734\" target=\"_blank\">0882-5734<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ffj.993\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ffj.993<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Essential+oils+of+different+cultivars+ofCannabis+sativa+L.+and+their+antimicrobial+activity&rft.jtitle=Flavour+and+Fragrance+Journal&rft.aulast=Novak&rft.aufirst=Johannes&rft.au=Novak%2C%26%2332%3BJohannes&rft.au=Zitterl-Eglseer%2C%26%2332%3BKarin&rft.au=Deans%2C%26%2332%3BStanley+G.&rft.au=Franz%2C%26%2332%3BChlodwig+M.&rft.date=1+July+2001&rft.volume=16&rft.issue=4&rft.pages=259%E2%80%93262&rft_id=info:doi\/10.1002%2Fffj.993&rft.issn=0882-5734&rft_id=https%3A%2F%2Fonlinelibrary.wiley.com%2Fdoi%2F10.1002%2Fffj.993&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-89\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-89\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation Journal\">Zagzoog, Ayat; Mohamed, Kawthar A.; Kim, Hye Ji J.; Kim, Eunhyun D.; Frank, Connor S.; Black, Tallan; Jadhav, Pramodkumar D.; Holbrook, Larry A. <i>et al.<\/i> (23 November 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/www.nature.com\/articles\/s41598-020-77175-y\" target=\"_blank\">\"In vitro and in vivo pharmacological activity of minor cannabinoids isolated from Cannabis sativa\"<\/a> (in en). <i>Scientific Reports<\/i> <b>10<\/b> (1): 20405. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/Digital_object_identifier\" data-key=\"ae6d69c760ab710abc2dd89f3937d2f4\">doi<\/a>:<a rel=\"external_link\" class=\"external text\" href=\"http:\/\/dx.doi.org\/10.1038%2Fs41598-020-77175-y\" target=\"_blank\">10.1038\/s41598-020-77175-y<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/International_Standard_Serial_Number\" data-key=\"a5dec3e4d005e654c29ad167ab53f53a\">ISSN<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.worldcat.org\/issn\/2045-2322\" target=\"_blank\">2045-2322<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Central\" data-key=\"c85bdffd69dd30e02024b9cc3d7679e2\">PMC<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7684313\/\" target=\"_blank\">PMC7684313<\/a>. <a rel=\"nofollow\" class=\"external text wiki-link\" href=\"http:\/\/en.wikipedia.org\/wiki\/PubMed_Identifier\" data-key=\"1d34e999f13d8801964a6b3e9d7b4e30\">PMID<\/a> <a rel=\"external_link\" class=\"external text\" href=\"http:\/\/www.ncbi.nlm.nih.gov\/pubmed\/33230154\" target=\"_blank\">33230154<\/a><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/www.nature.com\/articles\/s41598-020-77175-y\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41598-020-77175-y<\/a><\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=In+vitro+and+in+vivo+pharmacological+activity+of+minor+cannabinoids+isolated+from+Cannabis+sativa&rft.jtitle=Scientific+Reports&rft.aulast=Zagzoog&rft.aufirst=Ayat&rft.au=Zagzoog%2C%26%2332%3BAyat&rft.au=Mohamed%2C%26%2332%3BKawthar+A.&rft.au=Kim%2C%26%2332%3BHye+Ji+J.&rft.au=Kim%2C%26%2332%3BEunhyun+D.&rft.au=Frank%2C%26%2332%3BConnor+S.&rft.au=Black%2C%26%2332%3BTallan&rft.au=Jadhav%2C%26%2332%3BPramodkumar+D.&rft.au=Holbrook%2C%26%2332%3BLarry+A.&rft.au=Laprairie%2C%26%2332%3BRobert+B.&rft.date=23+November+2020&rft.volume=10&rft.issue=1&rft.pages=20405&rft_id=info:doi\/10.1038%2Fs41598-020-77175-y&rft.issn=2045-2322&rft_id=info:pmc\/PMC7684313&rft_id=info:pmid\/33230154&rft_id=https%3A%2F%2Fwww.nature.com%2Farticles%2Fs41598-020-77175-y&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<li id=\"cite_note-90\"><span class=\"mw-cite-backlink\"><a href=\"#cite_ref-90\">\u2191<\/a><\/span> <span class=\"reference-text\"><span class=\"citation web\">Dinkar, P. (19 November 2020). <a rel=\"external_link\" class=\"external text\" href=\"https:\/\/patents.google.com\/patent\/WO2020227830A1\/en?oq=WO2020227830\" target=\"_blank\">\"Methods and related systems for extracting one or more chemical compounds from cannabis plant material\"<\/a>. <i>Google Patents<\/i><span class=\"printonly\">. <a rel=\"external_link\" class=\"external free\" href=\"https:\/\/patents.google.com\/patent\/WO2020227830A1\/en?oq=WO2020227830\" target=\"_blank\">https:\/\/patents.google.com\/patent\/WO2020227830A1\/en?oq=WO2020227830<\/a><\/span><span class=\"reference-accessdate\">. Retrieved 01 January 2023<\/span>.<\/span><span class=\"Z3988\" title=\"ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.btitle=Methods+and+related+systems+for+extracting+one+or+more+chemical+compounds+from+cannabis+plant+material&rft.atitle=Google+Patents&rft.aulast=Dinkar%2C+P.&rft.au=Dinkar%2C+P.&rft.date=19+November+2020&rft_id=https%3A%2F%2Fpatents.google.com%2Fpatent%2FWO2020227830A1%2Fen%3Foq%3DWO2020227830&rfr_id=info:sid\/en.wikipedia.org:Journal:A_metabolomics_and_big_data_approach_to_cannabis_authenticity_(authentomics)\"><span style=\"display: none;\"> <\/span><\/span>\n<\/span>\n<\/li>\n<\/ol><\/div><\/div>\n<h2><span class=\"mw-headline\" id=\"Notes\">Notes<\/span><\/h2>\n<p>This presentation is faithful to the original, with only a few minor changes to presentation. Some grammar and punctuation was cleaned up to improve readability. In some cases important information was missing from the references, and that information was added.\n<\/p>\n<!-- \nNewPP limit report\nCached time: 20240104170436\nCache expiry: 86400\nDynamic content: false\nComplications: []\nCPU time usage: 2.491 seconds\nReal time usage: 2.835 seconds\nPreprocessor visited node count: 91427\/1000000\nPost\u2010expand include size: 819747\/2097152 bytes\nTemplate argument size: 249673\/2097152 bytes\nHighest expansion depth: 25\/40\nExpensive parser function count: 0\/100\nUnstrip recursion depth: 0\/20\nUnstrip post\u2010expand size: 229489\/5000000 bytes\n-->\n<!--\nTransclusion expansion time report (%,ms,calls,template)\n100.00% 2147.738 1 -total\n 92.04% 1976.880 1 Template:Reflist\n 70.19% 1507.491 90 Template:Citation\/core\n 65.18% 1399.946 74 Template:Cite_journal\n 12.32% 264.641 88 Template:Date\n 8.40% 180.432 177 Template:Citation\/identifier\n 6.49% 139.292 11 Template:Cite_web\n 3.03% 65.097 3 Template:Citation\n 2.71% 58.127 354 Template:Hide_in_print\n 2.59% 55.563 1 Template:Infobox_journal_article\n-->\n\n<!-- Saved in parser cache with key limswiki:pcache:idhash:14610-0!canonical and timestamp 20240104170433 and revision id 55399. 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LIMSjournal - Winter 2023
Volume 9, Issue 4
Editor: Shawn Douglas
Publisher: LabLynx Press
Copyright LabLynx Inc. All rights reserved.