SrRietveld: a program for automating Rietveld refinements for high-throughput powder diffraction studies

Abstract

SrRietveldis a highly automated software toolkit for Rietveld refinement. Compared to traditional refinement programs, it is more efficient to use and easier to learn. It is designed for modern high-throughput diffractometers and is capable of processing large numbers of data sets with minimal effort. The software currently uses conventional Rietveld refinement engines, automatingGSASandFullProfrefinements. However, as well as automating and extending many tasks associated with these programs, it is designed in a flexible and extensible way so that in the future these engines can be replaced with new refinement engines as they become available.SrRietveldis an open-source software package developed in Python.