Ouro will include this asset when running the route.
Gaussian full width at half maximum in degrees for peak broadening. Must be greater than 0 and at most 2.
Named radiation wavelength used by pymatgen's XRDCalculator.
Maximum number of strongest peaks to include in the response metadata. Must be between 0 and 50.
Minimum relative peak intensity (0-100) to keep in the summary. Must be between 0 and 100.
Sampling interval in degrees for the broadened XY diffraction curve. Must be greater than 0 and at most 1.
Lower and upper bounds of the simulated 2-theta window in degrees.
Skip CIF validity checks (parse failure, empty structure, overlapping atoms closer than 0.5 Å). Use only when you have already validated the structure.
Part of service
Materials API
Generate a simulated powder XRD pattern and return an XY peak list with peak metadata.
Execution
Usage