{"id":"W2140208595","doi":"10.1107/s0108767307051355","title":"Busting out of crystallography's Sisyphean prison: from pencil and paper to structure solving at the press of a button: past, present and future of crystallographic software development, maintenance and distribution","year":2007,"lang":"en","type":"article","venue":"Acta Crystallographica Section A Foundations of Crystallography","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nuclear Laboratories","funders":"","keywords":"Software; Computer science; Crystallography; Programming language; 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","sts"],"consensus_categories":[],"category_scores_codex":[0.001877578,0.000852849,0.001293601,0.001562328,0.0008644225,0.0001522997,0.0007349307,0.0005858733,0.000143075],"category_scores_gemma":[0.0002374193,0.0007382601,0.0005094563,0.002819821,0.003204581,0.0009888103,0.0007615674,0.0005610894,5.491343e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006758861,"about_ca_system_score_gemma":0.0001314647,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006791009,"about_ca_topic_score_gemma":0.001883965,"domain_scores_codex":[0.9934304,0.0003964975,0.002524174,0.001377274,0.001341158,0.0009305431],"domain_scores_gemma":[0.9932958,0.001343459,0.002488937,0.001168007,0.001259166,0.0004446417],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0007219022,0.0003525738,0.07180616,0.0006584504,0.0005279796,0.000003427285,0.002994612,0.00008353911,0.9196531,0.0002846911,0.0004437425,0.00246982],"study_design_scores_gemma":[0.003265009,0.001216356,0.7783892,0.0008979719,0.0008806075,0.0001068574,0.008454166,0.00005171095,0.01527835,0.003299281,0.1865315,0.001629012],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9758182,0.002184025,0.01788723,0.0005394786,0.0005932187,0.001637806,0.00105184,0.0001462567,0.0001419629],"genre_scores_gemma":[0.9837708,0.0009185176,0.01448003,0.00006640746,0.0002860966,0.00009411499,0.0002875254,0.00008080202,0.00001569516],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9043747,"threshold_uncertainty_score":0.9995081,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01203677887826046,"score_gpt":0.2420594264409689,"score_spread":0.2300226475627084,"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."}}