{"id":"W6959520216","doi":"10.1021/acs.analchem.5b00039.s003","title":"Discovery of C<sub>5</sub>–C<sub>17</sub> Poly-\\nand Perfluoroalkyl Substances in Water by In-Line SPE-HPLC-Orbitrap\\nwith In-Source Fragmentation Flagging","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Per- and polyfluoroalkyl substances research","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Flagging; Fragmentation (computing); Orbitrap; Mass spectrometry; Electrospray ionization; Chlorine; Yield (engineering)","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":[0.0005867265,0.0009688566,0.0004513403,0.0005612583,0.0003449882,0.0005765101,0.0007481428,0.0005036132,0.003405083],"category_scores_gemma":[0.0005020424,0.0004000844,0.0005373104,0.0004228536,0.0005088744,0.0005121822,0.0005402984,0.000947921,0.003000934],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008291585,"about_ca_system_score_gemma":0.001581094,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002286033,"about_ca_topic_score_gemma":0.005866256,"domain_scores_codex":[0.9994129,0.00004547663,0.00002883014,0.0002436187,0.000196111,0.00007313156],"domain_scores_gemma":[0.9996855,0.0000426101,0.000040914,0.00007437509,0.0001125586,0.00004395783],"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":[0.00006057126,0.00002199813,0.0001190149,0.00004870877,0.000007510813,0.00006201275,0.00002023517,0.00007837576,0.9933606,0.0002590254,0.000262873,0.005698968],"study_design_scores_gemma":[0.000008020974,0.00009096415,0.0007265413,0.000007203282,0.000008188061,0.0001348559,0.000008965006,0.0009628822,0.9902585,0.00009190923,0.007694141,0.000007910623],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.494569,0.002118032,0.4734116,0.0005048646,0.0002557809,0.001624107,0.006717233,0.002633742,0.01816553],"genre_scores_gemma":[0.4867165,0.003393295,0.4381835,0.000784646,0.0000708775,0.001534429,0.01582124,0.001331537,0.05216394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003405083,"threshold_uncertainty_score":0.01139116,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01651002437536892,"score_gpt":0.2432031008839504,"score_spread":0.2266930765085815,"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."}}