[Xrayutilities-users] Single Crystal Diffraction Simulation

[Mischa S. <mis...@uz...>]

Dear Xrayutilities-Team,

I am currently looking for a single crystal diffraction simulator. Your package seems very promising for that since it's very strong and provides all degrees of changeability in an experimental setup. Unfortunately, I didn't figure it out yet, how to use it in the proper manner.

What I am looking for is, a changeable crystal alignment in an X-ray beam that produces a single diffraction pattern on the detector for further use. (I have currently worked with the Laue method and am therefore thinking in that kind of setups etc.) I was able to modify the example of section 'Visualization of the Bragg peaks in a reciprocal space plane' to a full image, because that seems for me as the starting point. But now I am stuck on how to rotate the crystal in the experimental alignment. Best would be to have just the crystal orientation as a free parameter, without the detector aswell.

Is there this possibility of creating such patterns and if yes can you help me to get it done?

Thanks a lot for your help!
Best,
Mischa