electron diffraction intensities in ring patterns

[bcolsen]

I don't know if this is the right place to ask this question but I am having trouble using cctbx to simulate the profile of electron diffraction ring patterns.

I wrote a program to integrate electron diffraction rings in TEM for ease of analysis and I have been using external software like gdis or crystal maker to simulate the expected electron diffraction pattern.

I was exited to find that cctbx had a table for electron scattering and I have been trying to use it to get structure factors from .cif files. After following this documentation, I using the electron scattering tables.

I get:

The electron diffraction intensities don't fall off as fast as I would expect. I was wondering if these intensities include other corrections such as debye-waller or what else I might need.

The normalized intensities from a gdis electron and x-ray simulation are also included. As far as I can tell the gdis electron simulation uses the Mott-Bethe on the x-ray form factors and it fits the data quite nicely.