{"id":"W4412070619","doi":"10.1021/acs.analchem.5c00288","title":"Fast and Accurate Charge State Deconvolution of Protein Mass Spectra","year":2025,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"AbCellera (Canada)","funders":"National Institute of General Medical Sciences; National Institutes of Health","keywords":"Chemistry; Deconvolution; Mass spectrum; Spectral line; Charge (physics); State (computer science); Mass spectrometry; Analytical Chemistry (journal); Computational physics; Statistical physics; Environmental chemistry; Chromatography; Algorithm; Quantum mechanics; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001724656,0.0007570573,0.000488453,0.0009964672,0.0006836271,0.001315279,0.0009410774,0.0009204065,0.001746098],"category_scores_gemma":[0.003343708,0.000357219,0.0004653423,0.0006945222,0.0005590842,0.001490312,0.001535173,0.001404915,0.0012159],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007484329,"about_ca_system_score_gemma":0.001252484,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001334976,"about_ca_topic_score_gemma":0.002105461,"domain_scores_codex":[0.999316,0.00007413547,0.00004240527,0.0001491368,0.0003520155,0.00006632544],"domain_scores_gemma":[0.9989954,0.0002799006,0.0001038589,0.000180935,0.0003996285,0.0000402652],"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":[0.0004620004,0.0001737389,0.004441792,0.0003235387,0.00009185807,0.0002417875,0.0003440769,0.02607736,0.6634265,0.01386765,0.004740467,0.2858092],"study_design_scores_gemma":[0.00003772676,0.00009829894,0.002661517,0.00003068013,0.00002143256,0.0004463853,0.0001008298,0.4253815,0.553615,0.007180315,0.01034005,0.00008622344],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.0904355,0.0004724931,0.9021772,0.0002689502,0.00008859254,0.00007435898,0.0001889632,0.003802296,0.002491652],"genre_scores_gemma":[0.2771468,0.0005796306,0.7179734,0.000180303,0.00002793944,0.00009036079,0.0004976372,0.000458425,0.003045567],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.001746098,"threshold_uncertainty_score":0.009121001,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00834875317383906,"score_gpt":0.2645643898277817,"score_spread":0.2562156366539427,"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."}}