Robustness of quantitative phase analysis of X-ray diffraction data by the Rietveld method

Diffraction data of varying qualities were collected in Apr and Dec 2019 and analysed by different Rietveld models over the period Jan – Aug 2020. The data consists of the diffraction patterns, input files for the diffraction analysis software package TOPAS, batch files for running the input files, an include file with custom macros, and the output of those refinements. A key describing the column names and filename conventions is also given. All files are text format. In order to run the input files, a copy of TOPAS version 6 is required (either the Bruker version or TOPAS Academic). Results of model refinements: 8 files Diffraction data: 234 files Input files: 8 files Batch files: 8 files Include file: 1 file