get_intersecting_reflections#

SimulationGenerator.get_intersecting_reflections(recip: DiffractingVector, rot: ndarray, wavelength: float, max_excitation_error: float, shape_factor_width: float = None, with_direct_beam: bool = True)[source]#

Calculates the reciprocal lattice vectors that intersect the Ewald sphere.

Parameters:
recip

The reciprocal lattice vectors to rotate.

rot

The rotation matrix to apply to the reciprocal lattice vectors.

wavelength

The wavelength of the electrons in Angstroms.

max_excitation_error

The cut-off for geometric excitation error in the z-direction in units of reciprocal Angstroms. Spots with a larger distance from the Ewald sphere are removed from the pattern. Related to the extinction distance and roungly equal to 1/thickness.

shape_factor_width

Determines the width of the reciprocal rel-rod, for fine-grained control. If not set will be set equal to max_excitation_error.