{"id":"W2023418506","doi":"10.1016/s1090-7807(03)00008-9","title":"PJNMR: a platform-independent graphical simulation tool for NMR spectroscopy","year":2003,"lang":"en","type":"article","venue":"Journal of Magnetic Resonance","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research","keywords":"Computer science; Representation (politics); Graphical user interface; Spins; Java; Field (mathematics); Computational science; Nuclear magnetic resonance spectroscopy; Interface (matter); Nuclear magnetic resonance; Programming language; Physics; Condensed matter physics; Parallel computing; Mathematics","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":[0.00118841,0.00229174,0.001415513,0.0009571717,0.0008215455,0.001626983,0.004347663,0.001876008,0.03518382],"category_scores_gemma":[0.00404284,0.001280023,0.001694685,0.0005718744,0.0005687862,0.001570633,0.001873724,0.002767277,0.005804196],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006519942,"about_ca_system_score_gemma":0.001373117,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004978206,"about_ca_topic_score_gemma":0.005505519,"domain_scores_codex":[0.9994758,0.000137124,0.00004501712,0.00006590977,0.0002023931,0.00007379587],"domain_scores_gemma":[0.9986666,0.0007847872,0.00005501098,0.0001382518,0.0002346894,0.0001206789],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001688381,0.0006131548,0.003547289,0.002031682,0.0008575675,0.001002786,0.0007376371,0.664071,0.0358583,0.04317712,0.09616739,0.1502477],"study_design_scores_gemma":[0.0003268464,0.0000633604,0.0002491951,0.00005144272,0.00009558143,0.0001195595,0.00002999263,0.9417905,0.01501906,0.01103583,0.03113162,0.00008709456],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.012568,0.000140684,0.8464555,0.0002464485,0.0002569435,0.0002458368,0.003840416,0.1289365,0.007309662],"genre_scores_gemma":[0.2776559,0.0008080785,0.6309642,0.0008567455,0.0001536601,0.002517787,0.01119748,0.05867473,0.01717154],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.03518382,"threshold_uncertainty_score":0.1177016,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01530253443218786,"score_gpt":0.2990922645599903,"score_spread":0.2837897301278025,"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."}}