{"id":"W4302470081","doi":"10.26443/msurj.v5i1.82","title":"A new software package to stimulate the pattern of proposed transient chemical structures using the multislice simulation of the debye-Scherrer diffraction pattern for gold nanoparticles","year":2010,"lang":"en","type":"article","venue":"McGill Science Undergraduate Research Journal","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Diffraction; Debye; Transient (computer programming); Scherrer equation; Software; Materials science; Ultrafast electron diffraction; Computer science; Software package; Electron diffraction; Nanotechnology; Computational science; Computational physics; Physics; Optics; Condensed matter 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":[0.001671585,0.001880047,0.001413881,0.001045569,0.0007786375,0.001029712,0.003102446,0.001664919,0.03204752],"category_scores_gemma":[0.002165984,0.001198485,0.001492591,0.0007621712,0.0005587829,0.001126427,0.0009676822,0.002543784,0.005505892],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008284394,"about_ca_system_score_gemma":0.001457363,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003187587,"about_ca_topic_score_gemma":0.004853632,"domain_scores_codex":[0.9995896,0.00006903712,0.00004635065,0.00007023453,0.0001793158,0.00004548277],"domain_scores_gemma":[0.998557,0.0008892845,0.00007576896,0.0001640058,0.0002241501,0.00008974092],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001394214,0.001320986,0.008193489,0.004000435,0.00131286,0.002645233,0.0023923,0.1566248,0.1797367,0.03296595,0.2207177,0.3886955],"study_design_scores_gemma":[0.0007545145,0.0003547412,0.002949689,0.0001588692,0.0001673464,0.0007592964,0.00009253582,0.7585601,0.07853238,0.008215943,0.1492246,0.0002300693],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.01777316,0.0002028735,0.7728336,0.0002006605,0.0002927102,0.0003976292,0.007218344,0.1954983,0.005582739],"genre_scores_gemma":[0.08669638,0.0006853874,0.8260479,0.0003775384,0.00009462342,0.003275807,0.01439879,0.05143405,0.01698955],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.03204752,"threshold_uncertainty_score":0.1072096,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.065149084820366,"score_gpt":0.3735338505698178,"score_spread":0.3083847657494518,"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."}}