{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.005001722,0.0006212459,0.0009989657,0.0005145545,0.002558543,0.002660823,0.001906631,0.0149136,0.005872948],"category_scores_gemma":[0.01701776,0.0004033447,0.0003025494,0.0005090582,0.005466839,0.003043111,0.001529392,0.01772269,0.004774953],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002241912,"about_ca_system_score_gemma":0.001044279,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008720293,"about_ca_topic_score_gemma":0.001781967,"domain_scores_codex":[0.9975544,0.0005841882,0.0001038819,0.0002029707,0.001354491,0.0002000969],"domain_scores_gemma":[0.9934571,0.004002519,0.0003469397,0.0004983973,0.001215927,0.0004790422],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0002052596,0.00005242215,0.0002482292,0.0003031467,0.00002089465,0.002378158,0.0001933681,0.000680147,0.006277337,0.05707617,0.8823866,0.05017826],"study_design_scores_gemma":[0.0001178994,0.00009331236,0.0004622824,0.0002794659,0.00001586651,0.002070722,0.0001902158,0.003544544,0.007523771,0.1310772,0.8545465,0.00007815768],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"commentary","genre_gemma":"commentary","genre_scores_codex":[0.00251783,0.00904355,0.007138358,0.9094371,0.04079321,0.00003746408,0.0001262772,0.0002032258,0.03070288],"genre_scores_gemma":[0.1253652,0.03400522,0.01870231,0.5455097,0.2285651,0.0003118941,0.0003339772,0.000583525,0.0466231],"genre_candidate":"commentary","genre_consensus":"commentary","teacher_disagreement_score":0.0149136,"threshold_uncertainty_score":0.02645195,"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."}}