[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.
Lightweight version of the XQueryer model.
Open-source XRD Phase Finder for powder diffraction phase identification using open databases, local CIF libraries, Match/Gain ranking and portable projects.
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.
Powder X-ray diffraction phase identification with a validated, reproducible method. Built with Claude Code.
viewer for powder diffraction data
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