{"id":"W2903014297","doi":"10.1002/cjce.23409","title":"Experimental Methods in Chemical Engineering: Nuclear Magnetic Resonance","year":2018,"lang":"en","type":"article","venue":"The Canadian Journal of Chemical Engineering","topic":"NMR spectroscopy and applications","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Polytechnique Montréal","funders":"","keywords":"Nuclear magnetic resonance spectroscopy; Nuclear reaction analysis; Spectroscopy; Density functional theory; Materials science; NMR spectra database; Polymer; Nuclear magnetic resonance; Analytical Chemistry (journal); Chemistry; Chemical physics; Spectral line; Computational chemistry; Physics; Organic chemistry; Ion","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"about_ca":true,"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":[0.004024741,0.002168926,0.001806991,0.002611675,0.002460965,0.001821206,0.003018783,0.001965425,0.0555928],"category_scores_gemma":[0.005419624,0.001253319,0.0008855066,0.003266837,0.001965538,0.002439531,0.003033236,0.003838315,0.04643799],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001479164,"about_ca_system_score_gemma":0.003347233,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001349955,"about_ca_topic_score_gemma":0.002515422,"domain_scores_codex":[0.9933049,0.001250174,0.0004758516,0.001557083,0.003027082,0.0003848208],"domain_scores_gemma":[0.9968401,0.0005343707,0.000290205,0.001222968,0.0009308435,0.0001815631],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0008316978,0.0009658354,0.001815392,0.009044584,0.0002160127,0.0009876203,0.0008152385,0.003457228,0.3855352,0.1129143,0.141682,0.3417349],"study_design_scores_gemma":[0.0001429898,0.0003741624,0.000975077,0.0005010319,0.00007784864,0.0007898022,0.0001107569,0.002607936,0.1542892,0.01025268,0.8297322,0.0001462848],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01632003,0.02214864,0.8211168,0.003594273,0.01104342,0.006383298,0.01173082,0.008368975,0.09929375],"genre_scores_gemma":[0.08929478,0.02734761,0.7086574,0.003315125,0.002002498,0.02126274,0.01569084,0.003193078,0.1292359],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.0555928,"threshold_uncertainty_score":0.1859764,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007630375064827091,"score_gpt":0.285144944817755,"score_spread":0.2775145697529279,"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."}}