Request for correlated atomic motion morph

[Sparks29032]

Problem

Correlated atomic motion creates large signals in the low-r region of the difference curves taken from PDFs at different temperatures.

Proposed solution

Create a "morph" to account for correlated atomic motion. The algorithm to do so involves:

• Computing the RDF from the PDF (already exists).
• Identifying peaks in the RDF (unlike diffpy-cmi/pdfgui, we are not computing the PDFs, so we do not presuppose knowledge of peak locations).
• Reducing the widths of each peak.
  • This is pretty difficult as we have to separate out each peak.
  • Then, to reduce peak width, we have to divide the Fourier transform by the reduction Gaussian.
• Compute the new resulting PDF (already exists).

[sbillinge]

This is a low priority tbh. I like this issue, and let's keep it hanging around so we don't forget about it. But I think we have higher priority things to work on first.

1. getting people using this code and seeing how they use it. Will they be banging down our door to implement this morph?
2. working to extend the code to MorphSpectrum so not only PDF people can use it, but also all those powder diffraction folds, Raman folks, whatever.
3. working on other tasks that are higher impact ...