simXRD.py
Last updated: 08/05/2024
fullSim(path, cif, wl, tt_max, savePath, pw=None, bg=None)
Simulates power X-ray diffraction pattern, returns normalized intensity values
Parameters:
- path (str) – CIF file location
- cif (str) – CIF file name
- wl (float) – instrument wavelength (Å)
- tt_max (float) – maximum 2θ (°)
- savePath (str) – location to save simulation data to
- pw (float, optional) – peak broadening term (Å-1)
- bg (float, optional) – average of normal background
Returns:
- q (array_like) – calculated Q values (Å-1)
- ints (array_like) – calculated intensity values, normalized
By Sinclair R. Combs
Copyright 2023 Colorado School of Mines