{"id":"W4402780611","doi":"10.1039/d4ce90117g","title":"Correction: Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)","year":2024,"lang":"en","type":"article","venue":"CrystEngComm","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; National High Magnetic Field Laboratory; Basic Energy Sciences; Florida State University; National Science Foundation","keywords":"Crystallography; Crystal structure; Crystal structure prediction; Materials science; Chemistry","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":[0.005059621,0.003158672,0.003331999,0.006245579,0.00449239,0.005750233,0.006922154,0.007968607,0.2755349],"category_scores_gemma":[0.07839913,0.002433186,0.003030976,0.005531738,0.002574462,0.004034089,0.004735317,0.01023508,0.152714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.004460187,"about_ca_system_score_gemma":0.008186194,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01198789,"about_ca_topic_score_gemma":0.01555953,"domain_scores_codex":[0.9899126,0.001400039,0.001590848,0.001273141,0.004884966,0.0009384336],"domain_scores_gemma":[0.9535712,0.007888339,0.002595955,0.003988203,0.02958034,0.002375875],"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":[0.00003021447,0.000003593524,0.00004084233,0.0001827576,0.000008158798,0.0001332986,0.00002364134,0.00006964564,0.0001794191,0.0007396825,0.9939243,0.004664395],"study_design_scores_gemma":[0.00006801118,0.00002051597,0.0003933601,0.0002639724,0.00002389973,0.0006666195,0.00007313629,0.000550562,0.0009325104,0.002539675,0.9944062,0.00006151169],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"editorial","genre_gemma":"other","genre_scores_codex":[0.0007180949,0.002224483,0.01098859,0.03904896,0.9084548,0.0001834824,0.0209115,0.008654434,0.008815648],"genre_scores_gemma":[0.04610606,0.01554612,0.08981449,0.06555883,0.1920534,0.002162619,0.08780084,0.0340407,0.466917],"genre_candidate":"other","genre_consensus":null,"teacher_disagreement_score":0.2755349,"threshold_uncertainty_score":0.921756,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01191939109859422,"score_gpt":0.2685603042911985,"score_spread":0.2566409131926043,"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."}}