{"id":"W4308857735","doi":"10.1021/jasms.2c00082","title":"Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems","year":2022,"lang":"en","type":"article","venue":"Journal of the American Society for Mass Spectrometry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trent University","funders":"Deutsches Zentrum für Diabetesforschung; H2020 Research Infrastructures; European Regional Development Fund; RIKEN; ExxonMobil Research and Engineering Company; Universität des Saarlandes; Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement; Normandie Université; Université de Toulouse; Région Normandie; Leids Universitair Medisch Centrum; Institut National des Sciences Appliquées Rouen; Université de Rouen; Biological and Environmental Research; Centre National de la Recherche Scientifique; Korea Basic Science Institute; Università degli Studi di Salerno; Pacific Northwest National Laboratory; Murdoch University; Universiteit Leiden; U.S. Department of Energy; European Commission; Trent University; Harvard University; Université de Strasbourg; Indian National Science Academy; Agence Nationale de la Recherche; Florida International University; Institut Polytechnique de Paris","keywords":"Chemistry; Mass spectrometry; Analytical Chemistry (journal); Comparability; Fourier transform ion cyclotron resonance; Electrospray ionization; Chromatography; Mathematics","routes":{"ca_aff":true,"ca_fund":true,"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":[],"consensus_categories":[],"category_scores_codex":[0.0211852,0.001260169,0.0009721521,0.001467272,0.001129039,0.001770404,0.001244087,0.001174979,0.001070745],"category_scores_gemma":[0.01412548,0.0004486298,0.001053263,0.001607303,0.001694986,0.0008676734,0.002275096,0.0008269039,0.0006804804],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007699089,"about_ca_system_score_gemma":0.0009860651,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001291591,"about_ca_topic_score_gemma":0.001732212,"domain_scores_codex":[0.9760616,0.007098875,0.002604364,0.007715014,0.005709051,0.0008110886],"domain_scores_gemma":[0.9877781,0.003471056,0.001632783,0.003716161,0.003055896,0.0003459788],"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":[0.003370715,0.001870374,0.08473098,0.0006892157,0.001277053,0.0001837988,0.001566388,0.002532265,0.8564894,0.000686011,0.0005411816,0.04606264],"study_design_scores_gemma":[0.0002453783,0.02305127,0.2744659,0.00008058668,0.001669101,0.0008165212,0.001216519,0.006959366,0.679617,0.001007497,0.01068111,0.0001896633],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8773122,0.001055423,0.1137445,0.0001641945,0.0001363681,0.002864803,0.0017326,0.0005828343,0.002407027],"genre_scores_gemma":[0.9024484,0.0003756259,0.0874215,0.0004464736,0.00007346296,0.00262912,0.005098347,0.000209477,0.00129756],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0211852,"threshold_uncertainty_score":0.1120394,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01152585574429333,"score_gpt":0.2693082327386184,"score_spread":0.257782376994325,"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."}}