--- name: saxs-waxs-analyzer description: Small/Wide Angle X-ray Scattering skill for nanostructure size, shape, and organization analysis allowed-tools: - Read - Write - Glob - Grep - Bash metadata: specialization: nanotechnology domain: science category: spectroscopy priority: medium phase: 6 tools-libraries: - ATSAS - SasView - Irena - RAW --- # SAXS-WAXS Analyzer ## Purpose The SAXS-WAXS Analyzer skill provides structural characterization of nanomaterials through small and wide angle X-ray scattering, enabling determination of size, shape, and spatial organization at the nanoscale. ## Capabilities - SAXS data reduction and analysis - Form factor fitting - Guinier and Kratky analysis - Pair distance distribution function - WAXS crystallinity assessment - Self-assembly structure determination ## Usage Guidelines ### SAXS Analysis 1. **Data Reduction** - Subtract background - Apply transmission correction - Merge multiple detector regions 2. **Form Factor Analysis** - Fit to sphere, cylinder, or other models - Extract size distribution - Determine shape parameters 3. **Structural Analysis** - Calculate P(r) function - Determine Rg from Guinier - Assess folding from Kratky ## Process Integration - Statistical Particle Size Distribution Analysis - Directed Self-Assembly Process Development - Structure-Property Correlation Analysis ## Input Schema ```json { "data_file": "string", "technique": "saxs|waxs|combined", "analysis_type": "guinier|form_factor|pdf", "expected_shape": "sphere|cylinder|disk|ellipsoid" } ``` ## Output Schema ```json { "guinier": { "Rg": "number (nm)", "I0": "number", "qRg_range": "string" }, "form_factor": { "model": "string", "radius": "number (nm)", "polydispersity": "number", "chi_squared": "number" }, "pdf": { "Dmax": "number (nm)", "p_r_function": {"r": [], "p": []} } } ```