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": []}
}
}