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).