{"id":"W7111238091","doi":"10.1021/jacs.5c06866.s001","title":"CO<sub>2</sub> andH<sub>2</sub>O Sorption InducedBulk-Phase Changes of CALF-20 Captured Using <i>In Situ</i> Laboratory X‑ray Powder Diffraction","year":2025,"lang":"","type":"article","venue":"Figshare","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Desorption; Sorption; Powder diffraction; Adsorption; Diffraction; Carbon dioxide; Diamond","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007228418,0.0003742938,0.0001641069,0.0002592984,0.0001391691,0.0002516713,0.0003472741,0.0002846878,0.002044848],"category_scores_gemma":[0.0001716873,0.0002039994,0.0001728637,0.0003092663,0.00022748,0.0002556978,0.0001979808,0.0002898979,0.000190714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004233017,"about_ca_system_score_gemma":0.0001504714,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004135499,"about_ca_topic_score_gemma":0.007393871,"domain_scores_codex":[0.9998765,0.000003706141,0.000004337862,0.00003170636,0.00004306973,0.00004071496],"domain_scores_gemma":[0.999935,0.000007639305,0.00002094904,0.000005666469,0.00002019362,0.00001052058],"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":[0.00004415435,0.00000593809,0.0002369222,0.00003876289,0.000003526956,0.0000422984,0.00001812163,0.00007746529,0.998591,0.00004055465,0.00004275474,0.0008583977],"study_design_scores_gemma":[0.000003403441,0.00004815767,0.004623242,0.000003608248,0.00000464388,0.00005907985,0.00003293606,0.0008054274,0.9932569,0.00001167155,0.00114494,0.000005872693],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962499,0.0004640143,0.001106266,0.00002679437,0.00001007257,0.00001115684,0.0004560831,0.00007984771,0.001595899],"genre_scores_gemma":[0.9951773,0.0004448961,0.001201009,0.00003591322,0.000004003646,0.00001572604,0.0008551443,0.00004224765,0.002223739],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004135499,"threshold_uncertainty_score":0.008222818,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02735904751579705,"score_gpt":0.2811438211947903,"score_spread":0.2537847736789932,"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."}}