skued.powdersim
- skued.powdersim(crystal, q, fwhm_g=0.03, fwhm_l=0.06, **kwargs)
Simulates polycrystalline diffraction pattern.
- Parameters:
crystal (skued.structure.Crystal) – Crystal from which to diffract.
q (~numpy.ndarray, shape (N,)) – Range of scattering vector norm over which to compute the diffraction pattern [2 \(\pi\) / Angs].
fwhm_g (float, optional) – Full-width at half-max of the Gaussian and Lorentzian parts of the Voigt profile. See skued.pseudo_voigt for more details.
fwhm_l (float, optional) – Full-width at half-max of the Gaussian and Lorentzian parts of the Voigt profile. See skued.pseudo_voigt for more details.
- Returns:
pattern – Diffraction pattern
- Return type:
~numpy.ndarray, shape (N,)