Questions related to XRD in Materials Project

I have two question about the XRD in Materials Project.

Q1. Where does the XRD come from? Caluclation by pymatgen or experimentations?

Q2. No matter where it comes from, how can I get the “peak profile function” for the rietveld refinement?

Hi @Yong_ZHAO,

XRD patterns on MP are calculated. The peaks are delta-functions in these theoretically calculated XRD patterns. Rietveld refinement is used for experimental patterns.