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Analyze X-ray diffraction data for phase identification, crystallite size, and lattice parameter refinement of nanomaterials.
Provides crystallographic characterization for nanomaterials using X-ray diffraction (XRD). The skill supports phase identification, Rietveld structural refinement, crystallite size estimation (Scherrer and Williamson–Hall methods), lattice parameter extraction, preferred orientation checks, and PDF analysis workflows. It accepts diffraction files and parameters (wavelength, expected phases) and returns structured outputs: detected phases with PDF numbers and weight fractions, crystallite size estimates, lattice parameters, and refinement quality metrics (Rwp, chi-squared).
Use this skill when you have XRD measurement files and need automated or assisted interpretation: identifying phases in multi-phase samples, estimating coherent domain sizes, performing Rietveld refinements to extract lattice parameters and phase fractions, or running PDF analyses for short-range order. Useful in materials characterization pipelines, synthesis feedback loops, and reporting.
Best with agent runtimes that can call scientific tools and run Python/Fortran libraries (e.g., Codex/GitHub Copilot style agents or Claude Code) and able to integrate with GSAS-II, FullProf, HighScore or JADE libraries for refinement workflows.
XRD Crystallography Analyzer is a reference-style skill for X-ray diffraction analysis of nanomaterials. It has no bundled scripts — just a SKILL.md describing capabilities, input/output schemas, and process integration notes. The skill lists external tools (HighScore, JADE, GSAS-II, FullProf, PDFgui) but provides no automation or integration with them. It functions more as a structured prompt template than an executable skill.
Clean skill with no security concerns. Main limitation is lack of actionable implementation — it describes what to do but doesn't help do it. The input/output schemas are well-structured but the skill would need scripts or tool integrations to deliver real value.
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