calculate_diffraction1d#
- SimulationGenerator.calculate_diffraction1d(phase: Phase, reciprocal_radius: float = 1.0, minimum_intensity: float = 0.001, debye_waller_factors: dict = None)[source]#
Calculates the 1-D profile of the diffraction pattern for one phases.
This is useful for plotting the diffracting reflections for some phases.
- Parameters:
- phase:
The phase for which to derive the diffraction pattern.
- reciprocal_radius
The maximum radius of the sphere of reciprocal space to sample, in reciprocal Angstroms.
- minimum_intensity
The minimum intensity of a reflection to be included in the profile.
- debye_waller_factors
Maps element names to their temperature-dependent Debye-Waller factors.