{"id":"W2794747923","doi":"10.1080/00268976.2018.1451931","title":"FTIR synchrotron spectroscopy of the S–H stretching fundamental of the <sup>12</sup>CH<sub>3</sub><sup>32</sup>SH species of methyl mercaptan","year":2018,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada); University of Saskatchewan; University of New Brunswick","funders":"Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Welch Foundation","keywords":"Chemistry; Infrared; Ground state; Fourier transform infrared spectroscopy; Spectroscopy; Fourier transform; Infrared spectroscopy; Synchrotron; Atomic physics; Fourier transform spectroscopy; Synchrotron radiation; Analytical Chemistry (journal); Nuclear magnetic resonance; Physics; Optics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001948346,0.0005863114,0.0007825965,0.00005240162,0.0002686939,0.00005046989,0.001361189,0.0002685279,0.0002404882],"category_scores_gemma":[0.00008717371,0.0004335002,0.0008615068,0.0005165495,0.001107916,0.0001429028,0.0005480638,0.0007440434,0.000006777459],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001698031,"about_ca_system_score_gemma":0.0002100774,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007969965,"about_ca_topic_score_gemma":0.00001687307,"domain_scores_codex":[0.9965677,0.000220871,0.0007707305,0.0006316132,0.001165243,0.000643869],"domain_scores_gemma":[0.9970152,0.00006843048,0.0007121344,0.001893723,0.0001988645,0.0001116609],"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":[0.00007610572,0.0001744305,0.0009384446,0.0002734013,0.000393557,0.000007040461,0.001730118,0.001501853,0.9872898,0.00707255,0.0001551001,0.0003875569],"study_design_scores_gemma":[0.0006758479,0.0001397864,0.00042779,0.0002627252,0.0002829854,0.00001060443,0.0007713577,0.002400786,0.9885725,0.005839216,0.0002442566,0.0003721105],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908238,0.000273201,0.0007072563,0.000136957,0.0001153239,0.0003423226,0.0002170693,0.00004062178,0.00734347],"genre_scores_gemma":[0.9982105,0.00003023621,0.001053355,0.00012225,0.0003536076,0.00001432729,0.00002847724,0.0001005251,0.00008665803],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007386785,"threshold_uncertainty_score":0.9998116,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006557768653799269,"score_gpt":0.2209361177691508,"score_spread":0.2143783491153516,"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."}}