{"id":"W2469696045","doi":"10.2138/am-2015-5348","title":"Aluminum environments in synthetic Ca-Tschermak clinopyroxene (CaAlAlSiO <sub>6</sub> ) from Rietveld refinement, <sup>27</sup> Al NMR, and first-principles calculations","year":2015,"lang":"en","type":"article","venue":"American Mineralogist","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa; Western University","funders":"","keywords":"Rietveld refinement; Crystallography; Nuclear magnetic resonance spectroscopy; Magic angle spinning; Octahedron; Nuclear magnetic resonance; Materials science; Chemistry; Crystal structure; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001108763,0.0003584593,0.0004334463,0.00007676033,0.0001462805,0.00003999759,0.0002966351,0.0001181082,0.0001049435],"category_scores_gemma":[0.0001482064,0.0003679686,0.00008395397,0.0002298854,0.0007773704,0.0001221988,0.0002433431,0.0003185735,0.00006756487],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002126489,"about_ca_system_score_gemma":0.00004176988,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004114531,"about_ca_topic_score_gemma":0.0008315114,"domain_scores_codex":[0.9979123,0.00003897515,0.0005727765,0.0007303326,0.0002811801,0.0004643795],"domain_scores_gemma":[0.9984375,0.000170527,0.0002897792,0.000783335,0.00002997822,0.0002888599],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0002624454,0.002019981,0.2556161,0.00008166989,0.0002731028,0.0001654367,0.001655293,0.08156138,0.5812328,0.002413673,0.03380705,0.04091099],"study_design_scores_gemma":[0.003583306,0.0002949828,0.03484147,0.0002525163,0.0002362961,0.00006128495,0.002583568,0.115379,0.08534638,0.001732413,0.7532881,0.002400659],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907837,0.0002624552,0.002141265,0.00181646,0.00001197454,0.0002101881,0.00036416,0.0001256677,0.00428414],"genre_scores_gemma":[0.9877816,0.0005032481,0.00960339,0.000470406,0.0001039934,0.0002567628,0.0005257961,0.00005820862,0.0006965822],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7194811,"threshold_uncertainty_score":0.9998772,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02803168943344616,"score_gpt":0.2734954048981763,"score_spread":0.2454637154647301,"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."}}