{"id":"W6894253089","doi":"10.5517/cctsyr8&sid=datacite","title":"CCDC 768761: Experimental Crystal Structure Determination","year":2010,"lang":"en","type":"article","venue":"TigerPrints (Clemson University)","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Crystal structure; Crystal (programming language); Diffraction; X-ray crystallography; Molecule","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.006510352,0.003252263,0.007866474,0.007937304,0.006052359,0.003407015,0.008713097,0.003946194,0.2655977],"category_scores_gemma":[0.008015345,0.002473013,0.002465446,0.01846826,0.001453324,0.003686473,0.003128146,0.007579048,0.1298692],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.005254825,"about_ca_system_score_gemma":0.01303856,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02034891,"about_ca_topic_score_gemma":0.03485978,"domain_scores_codex":[0.9917994,0.001243946,0.0007468925,0.001302486,0.003857605,0.001049687],"domain_scores_gemma":[0.9944273,0.0004153363,0.0003043153,0.001303056,0.00317185,0.0003780809],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003784036,0.0001048278,0.0004091081,0.001700188,0.0000615527,0.0001669519,0.000137557,0.0004852376,0.02872556,0.005174073,0.9305729,0.03208358],"study_design_scores_gemma":[0.0003423248,0.0001009088,0.001623511,0.0001670249,0.00009060621,0.0004111889,0.0001021599,0.0009728349,0.01977634,0.00163235,0.974638,0.0001428645],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"dataset","genre_gemma":"empirical","genre_scores_codex":[0.01315358,0.01334481,0.0616622,0.003634845,0.004967591,0.004072575,0.7906358,0.009862341,0.09866631],"genre_scores_gemma":[0.02304871,0.008903661,0.07991764,0.00190818,0.000589732,0.004381712,0.8194956,0.003431877,0.05832287],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.2655977,"threshold_uncertainty_score":0.8885128,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00824729664780262,"score_gpt":0.2242635980820902,"score_spread":0.2160163014342876,"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."}}