{"id":"W2884622219","doi":"10.1039/c7np00064b","title":"The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research","year":2018,"lang":"en","type":"review","venue":"Natural Product Reports","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":120,"is_retracted":false,"has_abstract":true,"ca_institutions":"Burnaby Hospital; Simon Fraser University","funders":"National Center for Complementary and Integrative Health; National Institute of General Medical Sciences; National Institutes of Health","keywords":"Transparency (behavior); Reproducibility; Raw data; Research integrity; Natural product; Biochemical engineering; Computer science; Chemistry; Chromatography; Engineering ethics; Engineering; Stereochemistry; Computer security","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":["metaresearch"],"consensus_categories":[],"category_scores_codex":[0.007191953,0.0006652378,0.001102385,0.00399364,0.000921137,0.004249986,0.001356263,0.002094995,0.004445988],"category_scores_gemma":[0.01192985,0.0003468948,0.0006760467,0.004103655,0.002761321,0.004468749,0.00221011,0.002678238,0.002406518],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001255898,"about_ca_system_score_gemma":0.005507398,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001423301,"about_ca_topic_score_gemma":0.002012944,"domain_scores_codex":[0.9955983,0.00120018,0.0006051057,0.0004933226,0.001892039,0.0002111002],"domain_scores_gemma":[0.9890494,0.006992759,0.0009391904,0.0007913242,0.0019825,0.0002447538],"domain_codex":null,"domain_gemma":"reproducibility","domain_candidate":"reproducibility","domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00005106453,0.00004510866,0.0004233207,0.02615239,0.0001031548,0.0004406154,0.0005872939,0.000256354,0.00355004,0.0471748,0.02386788,0.897348],"study_design_scores_gemma":[0.000003749457,0.00002788776,0.0004061839,0.00526937,0.00005576979,0.0006218452,0.0001918371,0.00003536252,0.001594643,0.005993185,0.9857751,0.00002524155],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0006570078,0.9833798,0.002200236,0.002835433,0.001067367,0.00004448149,0.0002011481,0.0000541197,0.009560497],"genre_scores_gemma":[0.00525283,0.9881362,0.002968881,0.001086288,0.0005769513,0.00004900191,0.0002475372,0.00002754841,0.001654765],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.992808,"threshold_uncertainty_score":0.03803515,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1301489331785645,"score_gpt":0.4086513990643329,"score_spread":0.2785024658857684,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}