Master-pattern simulation#

The forward chain: crystal -> structure factors -> reflections -> Bloch-wave dynamical solve -> master pattern -> detector projection, with every intermediate object inspectable. Start with the CIF-to-detector workflow, then explore energy-resolved Monte Carlo statistics and numerical convergence.

compare_emsoft.py compares against kikuchipy’s bundled nickel reference using its stored crystal, Bethe settings, reflection cutoff and Monte Carlo depth profile. It reports correlations and normalized residuals for both hemispheres and a detector projection, and displays both 3D spheres. The reference is 8-bit, so the example does not claim bitwise intensity parity. An unquantized local EMsoft file can be selected by editing reference_path.

From a CIF to a dynamical master pattern and detector images

From a CIF to a dynamical master pattern and detector images

Native Monte Carlo and energy-resolved EBSD simulation

Native Monte Carlo and energy-resolved EBSD simulation

Compare grid resolution and dynamical backends

Compare grid resolution and dynamical backends

Explore STEM zone axes with lines and spots

Explore STEM zone axes with lines and spots

Compare a dynamical simulation with EMsoft

Compare a dynamical simulation with EMsoft