ProfileSimulation

class diffsims.sims.diffraction_simulation.ProfileSimulation(magnitudes, intensities, hkls)

Bases: object

Holds the result of a given kinematic simulation of a diffraction profile.

Parameters:

• magnitudes (array-like, shape [n_peaks, 1]) – Magnitudes of scattering vectors.

• intensities (array-like, shape [n_peaks, 1]) – The kinematic intensity of the diffraction peaks.

• hkls ([{(h, k, l): mult}] {(h, k, l): mult} is a dict of Miller) – indices for all diffracted lattice facets contributing to each intensity.

Methods

ProfileSimulation.get_plot([annotate_peaks, ...])

Plots the diffraction profile simulation for the