{"id":"W4362657005","doi":"10.1002/mrc.5351","title":"Benchtop nuclear magnetic resonance performance evaluation according to ASTM E691–22 on a population of instruments: Molar substitution determination in hydroxypropyl betadex as a case study for use in quality control environments","year":2023,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Nexen (Canada)","funders":"","keywords":"Chemistry; Substitution (logic); Molar; Quality (philosophy); Molar ratio; Population; Nuclear magnetic resonance; Organic chemistry; Dentistry; Environmental health","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":[],"consensus_categories":[],"category_scores_codex":[0.01100066,0.001006339,0.0007973987,0.001403209,0.001329428,0.001599257,0.001192286,0.001203083,0.001655206],"category_scores_gemma":[0.01141627,0.0002980749,0.0009477636,0.001381815,0.00171958,0.0008399425,0.001171871,0.001031911,0.00113111],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007283509,"about_ca_system_score_gemma":0.001474644,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003337392,"about_ca_topic_score_gemma":0.004942319,"domain_scores_codex":[0.9867864,0.00235187,0.000719816,0.002240722,0.007499311,0.0004018728],"domain_scores_gemma":[0.9913328,0.002003025,0.001240544,0.001061949,0.004139404,0.0002223291],"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":[0.0005672948,0.0008891706,0.02107915,0.0005618383,0.0002605664,0.0006656561,0.001800682,0.001715082,0.8939317,0.0009564432,0.001397864,0.07617456],"study_design_scores_gemma":[0.00003898993,0.004212351,0.04382325,0.000176925,0.0003163268,0.001521275,0.0009970553,0.006054951,0.9227092,0.0006480505,0.01932396,0.0001776995],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8211033,0.003603936,0.163356,0.0005061524,0.0002496677,0.001297203,0.001778202,0.0014669,0.00663856],"genre_scores_gemma":[0.7088379,0.002415982,0.2767208,0.0006920745,0.0001304333,0.0007485708,0.003368839,0.000469206,0.006616237],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01100066,"threshold_uncertainty_score":0.05817777,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02929307599159501,"score_gpt":0.3010360426630205,"score_spread":0.2717429666714254,"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."}}