{"id":"W2055265326","doi":"10.1107/s0021889806009915","title":"<i>SVDdiagnostic</i>, a program to diagnose numerical conditioning of Rietveld refinements","year":2006,"lang":"en","type":"article","venue":"Journal of Applied Crystallography","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada","funders":"Nanyang Technological University","keywords":"Singular value decomposition; Rank (graph theory); Reduction (mathematics); Condition number; Matrix (chemical analysis); Stability (learning theory); Singular value; Mathematics; Computer science; Applied mathematics; Arithmetic; Algorithm; Eigenvalues and eigenvectors; Geometry; Combinatorics; Physics; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002595732,0.001872423,0.001589208,0.002185299,0.001328677,0.002193801,0.002663877,0.00105035,0.04908421],"category_scores_gemma":[0.005934942,0.001222777,0.001084626,0.001107954,0.0009464434,0.001838928,0.001822492,0.002533568,0.01177372],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009291738,"about_ca_system_score_gemma":0.002042721,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002078403,"about_ca_topic_score_gemma":0.005006233,"domain_scores_codex":[0.9991794,0.0001596997,0.00008050497,0.0002124461,0.0002767642,0.0000911055],"domain_scores_gemma":[0.997013,0.001818399,0.0003243478,0.000294551,0.0004572633,0.00009249731],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001383279,0.000457039,0.007990341,0.002634193,0.0003898742,0.001156337,0.001426551,0.01750601,0.04686965,0.03096148,0.3168591,0.5723661],"study_design_scores_gemma":[0.0006647244,0.0003213947,0.004346494,0.0002962744,0.0001443278,0.001298319,0.0004473837,0.5523902,0.129264,0.04984394,0.2606462,0.0003367905],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.009864464,0.0002019925,0.6878121,0.0002664712,0.0001394283,0.0003144197,0.006164734,0.2884551,0.006781237],"genre_scores_gemma":[0.03548533,0.0003058113,0.9112952,0.0003331751,0.00005758773,0.0009883093,0.008047375,0.03452104,0.00896615],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.04908421,"threshold_uncertainty_score":0.164203,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006488527146598379,"score_gpt":0.2499428365793678,"score_spread":0.2434543094327695,"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."}}