{"id":"W4416717720","doi":"10.1177/27551857251398877","title":"Determination of Isophthalic Acid Comonomer Content in Poly(Ethylene Terephthalate) (PET) Using Raman Spectroscopy","year":2025,"lang":"en","type":"article","venue":"Applied Spectroscopy Practica","topic":"Spectroscopy and Chemometric Analyses","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Comonomer; Isophthalic acid; Raman spectroscopy; Bottle; Spectroscopy; Analytical Chemistry (journal); Calibration; Amorphous solid","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":[0.0004053779,0.0005576141,0.001030882,0.000819112,0.0001745161,0.0001140825,0.0005638401,0.0002680765,0.002004427],"category_scores_gemma":[0.0002170869,0.0005918076,0.0002218231,0.001524067,0.0002559346,0.0002604648,0.0001899771,0.0008172984,0.00004212695],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007974107,"about_ca_system_score_gemma":0.000256697,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004907041,"about_ca_topic_score_gemma":0.0000328505,"domain_scores_codex":[0.996579,0.00005764148,0.00113408,0.0009137942,0.0004659616,0.0008495204],"domain_scores_gemma":[0.9976928,0.0003777132,0.0007177625,0.0009585482,0.0001089473,0.0001442017],"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":[0.0004375523,0.0006698004,0.007468239,0.0001818979,0.0001733148,0.00004992994,0.0001036784,0.000004387349,0.9851812,0.005353054,0.00007330791,0.0003036351],"study_design_scores_gemma":[0.001574161,0.00007887993,0.001206502,0.00008619272,0.0004123699,0.00004802285,0.0006866807,0.0005412792,0.9917015,0.002908123,0.0002974871,0.000458768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8157755,0.001145421,0.01009019,0.000492499,0.0001488806,0.0003783951,0.00002340982,0.0001366686,0.171809],"genre_scores_gemma":[0.9642091,0.0001829734,0.03421871,0.0002269451,0.000100117,0.0000753533,0.00003545537,0.00006180727,0.0008895185],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1709195,"threshold_uncertainty_score":0.9996533,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03577854428520779,"score_gpt":0.3271806530742054,"score_spread":0.2914021087889976,"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."}}