SAXS-WAXS Analyzer Skill

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

Data Reduction
- Subtract background
- Apply transmission correction
- Merge multiple detector regions
Form Factor Analysis
- Fit to sphere, cylinder, or other models
- Extract size distribution
- Determine shape parameters
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

{
  "data_file": "string",
  "technique": "saxs|waxs|combined",
  "analysis_type": "guinier|form_factor|pdf",
  "expected_shape": "sphere|cylinder|disk|ellipsoid"
}

Output Schema

{
  "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": []}
  }
}

Agent Skills: SAXS-WAXS Analyzer

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