{"id":"W3204389003","doi":"10.1021/acs.analchem.1c02621","title":"Nontargeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility","year":2021,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":135,"is_retracted":false,"has_abstract":true,"ca_institutions":"Agriculture and Agri-Food Canada","funders":"National Science Foundation","keywords":"Chemistry; Transparency (behavior); Reproducibility; Chromatography; Computer security; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":["metaresearch"],"consensus_categories":[],"category_scores_codex":[0.003008261,0.0001877121,0.000499571,0.00005816007,0.0001740958,0.00006991596,0.0001736222,0.0001648715,0.0001367705],"category_scores_gemma":[0.01334653,0.0001786997,0.0001838962,0.001233647,0.00009796194,0.000003220334,0.0003867735,0.0003570953,0.000002637799],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002756102,"about_ca_system_score_gemma":0.0001148296,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006628418,"about_ca_topic_score_gemma":0.00007357241,"domain_scores_codex":[0.9963571,0.0001021774,0.000788361,0.001954429,0.0003536778,0.0004442417],"domain_scores_gemma":[0.99719,0.0000752974,0.0001458251,0.001950397,0.0004354919,0.0002030179],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00009562097,0.000528764,0.236292,0.00006650242,0.001733844,0.00009623198,0.0001629274,0.00001486992,0.7598556,0.00007782137,0.000479386,0.0005964493],"study_design_scores_gemma":[0.0005595856,0.0004172731,0.189653,0.00001613697,0.001264704,0.00001929675,0.002134855,0.0002652368,0.7977227,0.001053777,0.006227188,0.0006662389],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958892,0.0005972667,0.0009038208,0.0005187297,0.00004840329,0.000190802,0.00002228942,0.00001333771,0.001816124],"genre_scores_gemma":[0.9955799,0.00007733469,0.001647576,0.00008996972,0.0002339708,0.00003792806,0.00006051722,0.00001510473,0.00225769],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04663897,"threshold_uncertainty_score":0.9949645,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05556872455809321,"score_gpt":0.3860447384977591,"score_spread":0.3304760139396659,"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."}}