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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Updated
Jul 7, 2026 - Python