{"id":"W4389999783","doi":"10.1002/mrc.5421","title":"A reliable external calibration method for reaction monitoring with benchtop NMR","year":2023,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto; University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Genentech; University of British Columbia; Canada Foundation for Innovation","keywords":"Chemistry; Analyte; Nuclear magnetic resonance spectroscopy; Calibration; Proton NMR; Analytical Chemistry (journal); Relaxometry; Spectrometer; Biological system; Process engineering; Nuclear magnetic resonance; Chromatography; Magnetic resonance imaging; Spin echo; Organic chemistry","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":[0.01047188,0.003218316,0.001821588,0.00266397,0.002001835,0.002139371,0.003630823,0.00416887,0.007419283],"category_scores_gemma":[0.01424264,0.00138117,0.001450754,0.002300958,0.002089604,0.001818803,0.002429036,0.005126365,0.009564335],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001522188,"about_ca_system_score_gemma":0.003306293,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001438202,"about_ca_topic_score_gemma":0.002542353,"domain_scores_codex":[0.9777743,0.00519311,0.0009790341,0.004312124,0.01106681,0.0006747416],"domain_scores_gemma":[0.9922656,0.001469563,0.0007732932,0.001619117,0.003662745,0.0002096775],"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":[0.0003069355,0.0004990296,0.002017026,0.0008451427,0.0001180814,0.0002048568,0.0004247908,0.001010828,0.9083343,0.003503395,0.006537384,0.07619821],"study_design_scores_gemma":[0.0000512559,0.0005878353,0.002419052,0.0002040113,0.000131562,0.0005370627,0.0001487894,0.01096711,0.9196126,0.001140758,0.06404146,0.0001584496],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.02623859,0.003904233,0.9470245,0.0007313917,0.002052458,0.001774937,0.001454606,0.008029522,0.008789835],"genre_scores_gemma":[0.1399639,0.004424436,0.8224685,0.001773629,0.0005749988,0.006520758,0.003800251,0.001583596,0.01888992],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01047188,"threshold_uncertainty_score":0.05538124,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01463190394303963,"score_gpt":0.2714253648261448,"score_spread":0.2567934608831051,"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."}}