{"id":"W4412700216","doi":"10.1007/978-981-96-5984-5_9","title":"Quantitative Crystal Structure Comparison","year":2025,"lang":"en","type":"book-chapter","venue":"","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Dalhousie University; University of Ottawa","funders":"","keywords":"Crystal structure; Materials science; Crystallography; Chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001277912,0.0004696602,0.0006600114,0.0003771217,0.0001655959,0.0001672968,0.0004593812,0.0005155967,0.0293029],"category_scores_gemma":[0.00004495157,0.0004181585,0.0002360534,0.00006472757,0.0002845607,0.0001674622,0.0001793742,0.0005157637,0.0003685007],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000888564,"about_ca_system_score_gemma":0.0001425495,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004505724,"about_ca_topic_score_gemma":0.0001559276,"domain_scores_codex":[0.9978706,0.00003468714,0.0005870831,0.0006885369,0.000521622,0.0002974867],"domain_scores_gemma":[0.9984211,0.0002696614,0.0004057455,0.0005667318,0.0002360338,0.0001007155],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00008339292,0.00002427422,0.00003814728,0.0001345239,0.00009440142,0.00000999389,0.0001303598,0.00006833923,0.1329914,0.7548671,0.1113708,0.0001872551],"study_design_scores_gemma":[0.0004245266,0.0002498468,0.0001378716,0.0003000879,0.0001899255,0.0000113054,0.0002584173,0.0001366944,0.006013181,0.09271456,0.8985009,0.001062701],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.001343292,0.0003650515,0.00382262,0.0001367628,0.002173726,0.0003962436,0.0006961906,0.000348301,0.9907178],"genre_scores_gemma":[0.06051822,0.00003535275,0.01661249,0.0003867598,0.0001941985,0.00001098048,0.0001765024,0.00006941857,0.9219961],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.7871301,"threshold_uncertainty_score":0.999827,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02683015404964038,"score_gpt":0.2971950022075318,"score_spread":0.2703648481578914,"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."}}