{"paper":{"title":"Computational Reverse-Engineering Analysis for Scattering Experiments for Form Factor and Structure Factor Determination ('P(q) and S(q) CREASE')","license":"http://creativecommons.org/licenses/by-sa/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.soft","authors_text":"Arthi Jayaraman, Bhuvnesh Bharti, Christian M. Heil, Yingzhen Ma","submitted_at":"2022-12-06T17:27:57Z","abstract_excerpt":"In this paper we present an open-source machine learning (ML) accelerated computational method to analyze small-angle scattering profiles [I(q) vs. q] from concentrated macromolecular solutions to simultaneously obtain the form factor P(q) (e.g., dimensions of a micelle) and structure factor S(q) (e.g., spatial arrangement of the micelles) without relying on analytical models. This method builds on our recent work on Computational Reverse Engineering Analysis for Scattering Experiments (CREASE) that has either been applied to obtain P(q) from dilute macromolecular solutions (where S(q) ~1) or "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.03154","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2212.03154/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}