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 [1/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,)