Extracting differential pair distribution functions usingMIXSCAT

Abstract

Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presentsMIXSCAT, a new member of theDISCUSprogram package.MIXSCATallows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.