[OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.
PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.
Modular open-source Python toolkit for X-ray diffraction (XRD) phase identification, structure simulation, and crystallographic data analysis using open databases (COD) and CIF-based calculations.
Lightweight version of the XQueryer model.
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.
Open-source Raman and FTIR spectroscopy software for spectral analysis, phase identification, peak detection, database search, and publication-ready plotting.
viewer for powder diffraction data
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