get_doyleturner_structure_factor#

diffsims.structure_factor.get_doyleturner_structure_factor(phase, hkl, scattering_parameter, voltage, return_parameters=False)[source]#

Return the structure factor for a given family of Miller indices using Doyle-Turner atomic scattering parameters [Doyle1968].

Assumes structure’s lattice parameters and Debye-Waller factors are expressed in Ångströms.

This function is adapted from EMsoft.

Parameters:

phaseorix.crystal_map.phase_list.Phase: A phase container with a crystal structure and a space and point group describing the allowed symmetry operations.
hklnumpy.ndarray or list: Miller indices.
scattering_parameterfloat: Scattering parameter for these Miller indices.
voltagefloat: Beam energy in V.
return_parametersbool, optional: Whether to return a set of parameters derived from the calculation as a dictionary. Default is False.

Returns:

structure_factorfloat: Structure factor F.
paramsdict: A dictionary with (key, item) (str, float) of parameters derived from the calculation. Only returned if return_parameters=True.