A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.
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Feb 24, 2026 - Python
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rietveld-refinement
Here are 14 public repositories matching this topic...
DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement
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Jul 31, 2026 - HTML
[OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.
machine-learning awesome-list crystal-structure materials-science generative-models rietveld-refinement pxrd phase-identification multi-phase-decomposition
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Jul 14, 2026 - HTML
GSAS-II Tutorial web pages & tutorial data
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Aug 13, 2026 - HTML
Scripts to convert data between some X-ray diffraction and Rietvield refinement file formats.
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Aug 30, 2017 - Python
Reel1.0 is a visualization tool for powder diffraction data and refinement results, intended for in-situ, operando, or similar larges datasets.
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Jul 1, 2026 - Python
Rust-based powder XRD software for peak fitting, phase search-match, size-strain, and Rietveld refinement.
rust crystallography crystal-structure materials-science powder-diffraction xrd rietveld-refinement pxrd peak-matching
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Jul 23, 2026 - TypeScript
scripts to parse and manipulate MAUD project.par files
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Jun 18, 2019 - Python
A comprehensive framework of AIMD simulations and Rietveld refinement data explaining the 3.2-fold enhancement of CO2 adsorption in humid Cs-RHO zeolites.
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Feb 13, 2026 - Python
Automated XRD phase identification and Rietveld refinement — a dara tree search explores phase combinations and BGMN-refines each one, no manual peak matching. Ranked solutions with interactive Plotly charts, phase-weight tables, exportable refinement files, and an MCP server for headless AI-agent control.
desktop-app python qt mcp plotly crystallography scientific-computing materials-science powder-diffraction x-ray-diffraction xrd rietveld-refinement pyside6 phase-identification mcp-server bgmn
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Jul 7, 2026 - Python
AI/ML enabled data driven autonomous phase ID & Rietveld refinement GUI. Allows independent batch processing, comprehensive tabulation and analysis, unknown crystal structure solutions, journal style figures, among its many features. Supports many input file formats. Also can render analysis of OUT files from FulProf/GSAS etc.
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Aug 25, 2026 - Python
Develop algorithms to simulate diffraction patterns and rietveld refinement for analysis crystalline phases.
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May 25, 2026 - Python
A python script for the batch conversion of profex .str files to TOPAS format .str files
crystallography x-ray-diffraction x-ray-crystallography topas rietveld-refinement pxrd xrpd rietveld
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Mar 25, 2026 - Python
Local, deterministic GSAS-II workflows for expert-reviewed PXRD refinement and experimental raw-data phase search.
mcp crystallography materials-science rietveld-refinement pxrd ai-for-science gsas-ii powder-xray-diffraction
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Aug 17, 2026 - Python
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