get_kinematical_intensities

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

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.

Parameters:

structurediffpy.structure.Structure

The structure for which to derive the structure factors.

g_indicesnumpy.ndarray

Indicies of spots to be considered.

g_hkls_arraynumpy.ndarray

Coordinates of spots to be considered.

debye_waller_factorsdict

Maps element names to their temperature-dependent Debye-Waller factors.

scattering_paramsstr

“lobato”, “xtables” or None

prefactorfloat or numpy.ndarray

Multiplciation factor for structure factor.

Returns:

peak_intensitiesnumpy.ndarray

The intensities of the peaks.