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
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": []}
}
}