xrd-crystallography-analyzer

# XRD Crystallography Analyzer ## Purpose The XRD Crystallography Analyzer skill provides crystallographic characterization of nanomaterials through X-ray diffraction analysis, enabling phase identification, crystallite size determination, and structural refinement. ## Capabilities - Phase identification and Rietveld refinement - Crystallite size (Scherrer equation) - Lattice parameter calculation - Preferred orientation analysis - In-situ XRD capabilities - PDF (Pair Distribution Function) analysis ## Usage Guidelines ### XRD Analysis 1. **Phase Identification** - Match peaks to database entries - Identify multiple phases - Assess phase purity 2. **Crystallite Size** - Apply Scherrer equation: D = Kl/(B cos theta) - Account for instrumental broadening - Use Williamson-Hall for strain 3. **Structural Refinement** - Perform Rietveld refinement - Extract lattice parameters - Quantify phase fractions ## Process Integration - Multi-Modal Nanomaterial Characterization Pipeline - Structure-Property Correlation Analysis - Nanoparticle Synthesis Protocol Development ## Input Schema ```json { "diffraction_file": "string", "analysis_type": "phase_id|crystallite_size|refinement|pdf", "wavelength": "number (Angstrom)", "expected_phases": ["string"] } ``` ## Output Schema ```json { "phases": [{ "name": "string", "pdf_number": "string", "weight_fraction": "number" }], "crystallite_size": { "value": "number (nm)", "...