{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000250024,0.0002670014,0.0004900693,0.0005029897,0.0001566521,0.0007885827,0.0007553175,0.0001173336,0.001360633],"category_scores_gemma":[0.0002061678,0.0002483853,0.0002698999,0.002139686,0.00005114684,0.0007081452,0.0001660285,0.0003460386,0.00006193053],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002731064,"about_ca_system_score_gemma":0.00006634092,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000215301,"about_ca_topic_score_gemma":0.00008188863,"domain_scores_codex":[0.9981433,0.00001610854,0.0003423658,0.0008308747,0.0002094068,0.0004579574],"domain_scores_gemma":[0.9987575,0.0003391779,0.00008333041,0.0006357974,0.00007022455,0.000113955],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000774747,0.001189486,0.008409579,0.0006646405,0.02072832,0.0001402956,0.005269284,0.002293373,0.899588,0.01286905,0.02163023,0.02644303],"study_design_scores_gemma":[0.0006653413,0.0002187416,0.0005738072,0.0000468523,0.00540067,0.00002881074,0.001754191,0.01117891,0.9332474,0.002401151,0.0436427,0.0008414417],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9664691,0.0008520275,0.01485899,0.0006215971,0.0001707233,0.0001676718,0.00009536144,0.0003823276,0.01638216],"genre_scores_gemma":[0.9819423,0.00003526923,0.002677706,0.0001389633,0.0009458679,0.00006133312,0.0002013047,0.00005593529,0.0139413],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03365941,"threshold_uncertainty_score":0.9999968,"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."}}