anomalous X-ray scattering

[yasu]

Hi all.

I would like to fit anomalous X-ray scattering (AXS) and neutron data for a crystalline sample with partial occupancies. Are there any plans to add the function to analyze AXS data? Or do you have any alternative idea to do it?
(I know that RMC++ can analyze AXS data but is not good at analyzing Bragg peaks.)

Thank you.

Yasu

[y8z-admin]

As far as I am aware of, we currently don't have the expertise in calculating the anomalous X-ray scattering in the team. If you know someone having such an expertise, we are pretty much open to discussion and collaboration on putting this into RMCProfile.

Please feel free to reach out to me either through this forum interface or via email (Yuanpeng Zhang, email: zhangy3 at ornl.gov)