{"id":"W4398144380","doi":"10.1021/acsomega.3c09262","title":"Introducing SpectraFit: An Open-Source Tool for Interactive Spectral Analysis","year":2024,"lang":"en","type":"article","venue":"ACS Omega","topic":"Spectroscopy and Chemometric Analyses","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary; University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Max-Planck-Gesellschaft","keywords":"Computer science; Software; Process (computing); Consistency (knowledge bases); Container (type theory); Interface (matter); Data mining; Operating system; Engineering","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":[0.004111579,0.003427787,0.001811877,0.004236718,0.001372667,0.004120104,0.006156565,0.002318389,0.1128912],"category_scores_gemma":[0.009933202,0.002008901,0.002603942,0.003092468,0.0009509524,0.00597346,0.004772855,0.005313491,0.05157014],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009082179,"about_ca_system_score_gemma":0.001914865,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001975347,"about_ca_topic_score_gemma":0.002541272,"domain_scores_codex":[0.997533,0.0003035471,0.0001983036,0.0004535087,0.001355573,0.0001560446],"domain_scores_gemma":[0.9953032,0.002525677,0.0002715352,0.0005965164,0.001020891,0.0002822588],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0004450758,0.0002431564,0.001842474,0.001907798,0.0002942903,0.0006845217,0.0005062264,0.004708559,0.02210396,0.009171313,0.6844742,0.2736184],"study_design_scores_gemma":[0.0002921179,0.0001456431,0.002854687,0.0005476928,0.000075056,0.001050907,0.000201985,0.06040524,0.04161366,0.0329856,0.8593135,0.0005139321],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"software","genre_gemma":"software","genre_scores_codex":[0.001256868,0.0006368813,0.4521095,0.0005013057,0.0004887338,0.0002243119,0.01472016,0.5243314,0.00573098],"genre_scores_gemma":[0.01577218,0.001470882,0.7441494,0.001565431,0.0003707237,0.001403816,0.04314277,0.1778596,0.01426509],"genre_candidate":"software","genre_consensus":"software","teacher_disagreement_score":0.1128912,"threshold_uncertainty_score":0.3776586,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01732772431516084,"score_gpt":0.3229809492662509,"score_spread":0.3056532249510901,"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."}}