diffsims.utils.sim_utils.get_kinematical_intensities(structure, g_indices, g_hkls_array, debye_waller_factors=None, scattering_params='lobato', prefactor=1)[source]#

Calculates peak intensities.

The peak intensity is a combination of the structure factor for a given peak and the position the Ewald sphere intersects the relrod. In this implementation, the intensity scales linearly with proximity.

  • structure (diffpy.structure.Structure) – The structure for which to derive the structure factors.

  • g_indices (numpy.ndarray) – Indicies of spots to be considered.

  • g_hkls_array (numpy.ndarray) – Coordinates of spots to be considered.

  • debye_waller_factors (dict) – Maps element names to their temperature-dependent Debye-Waller factors.

  • scattering_params (str) – “lobato”, “xtables” or None

  • prefactor (float or numpy.ndarray) – Multiplciation factor for structure factor.


peak_intensities – The intensities of the peaks.

Return type: