{"id":"W3174385035","doi":"10.1007/s00216-021-03407-3","title":"Solution to trifluoroacetic acid NMR challenge","year":2021,"lang":"en","type":"article","venue":"Analytical and Bioanalytical Chemistry","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"National Research Council Canada","funders":"","keywords":"Trifluoroacetic acid; Analytical Chemistry (journal); Chemistry; Chromatography; Environmental chemistry","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001928082,0.0003660629,0.0005157273,0.00003123366,0.0001662658,0.0001620959,0.0003332755,0.0004329594,0.006320867],"category_scores_gemma":[0.001099351,0.0003449731,0.0002403234,0.0004414254,0.0003116688,0.0000728933,0.0004721773,0.0006937927,0.0001535872],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001547296,"about_ca_system_score_gemma":0.0002111005,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001310608,"about_ca_topic_score_gemma":0.000007240119,"domain_scores_codex":[0.9969867,0.00001959373,0.0004874995,0.0009689488,0.0006672179,0.0008699975],"domain_scores_gemma":[0.9976505,0.0001449217,0.00004789565,0.0007133897,0.0002601979,0.001183095],"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":[0.0001326927,0.0007863285,0.001414646,0.0011865,0.0004219121,0.0008457839,0.00006519862,0.000004930323,0.9741706,0.002168564,0.003930876,0.01487203],"study_design_scores_gemma":[0.0009908025,0.00003946396,0.0001078229,0.0001246189,0.0002673089,0.0002647207,0.000230528,0.01255193,0.933668,0.001415297,0.0495532,0.0007863046],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4898933,0.002752865,0.000923248,0.04270797,0.00005314758,0.000136415,0.0001473816,0.0004149059,0.4629708],"genre_scores_gemma":[0.9690815,0.0002308657,0.0006076027,0.000339129,0.0005077333,0.00001682091,0.00008444159,0.00003508875,0.02909685],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4791881,"threshold_uncertainty_score":0.9999002,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02804068064278508,"score_gpt":0.2799450989160019,"score_spread":0.2519044182732168,"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."}}