{"id":"W2886642882","doi":"10.1002/mrc.4787","title":"On the importance of accurate nuclear quadrupole moments in <scp>NMR</scp> crystallography","year":2018,"lang":"en","type":"letter","venue":"Magnetic Resonance in Chemistry","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Library science; Chemistry; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001653331,0.0005041229,0.0005310473,0.00007272022,0.00006908351,0.00003786915,0.001276574,0.000917891,0.001258041],"category_scores_gemma":[0.0002646259,0.0004456413,0.0001827479,0.0005203499,0.000483403,0.00004654616,0.0001982874,0.00199416,0.00001632011],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000144926,"about_ca_system_score_gemma":0.00006013827,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000338759,"about_ca_topic_score_gemma":0.000009397409,"domain_scores_codex":[0.9971583,0.00002279671,0.000835001,0.0008402288,0.0004857252,0.0006579138],"domain_scores_gemma":[0.9972321,0.0005609393,0.0005350992,0.001547924,0.00007385495,0.00005001797],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00001982234,0.0002307461,0.002698786,0.0009894776,0.00001374058,0.0001555861,0.000187932,0.00002739511,0.03929019,0.0001012937,0.9551281,0.001156899],"study_design_scores_gemma":[0.0003696833,0.00003095153,0.0003333333,0.0008661049,0.00001193637,0.000008501424,0.0001538876,0.0001921214,0.01981062,0.005743212,0.9722365,0.0002431474],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8228133,0.004783181,0.00001066531,0.0405434,0.00003523652,0.0007277436,0.0006069679,0.0002282705,0.1302512],"genre_scores_gemma":[0.5827991,0.009595895,0.005717145,0.2791003,0.005683616,0.006366963,0.001604744,0.001460821,0.1076714],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2400142,"threshold_uncertainty_score":0.9997995,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01336204750271993,"score_gpt":0.2549812285762449,"score_spread":0.241619181073525,"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."}}