The effect of data quality and model parameters on the quantitative phase analysis of X-ray diffraction data by the Rietveld method

The quality of X-ray powder diffraction data and the number and type of refinable parameters have been examined with respect to their effect on quantitative phase analysis (QPA) by the Rietveld method using data collected from two samples from the QPA round robin [Madsen, Scarlett, Cranswick & Lwin (2001). J. Appl. Cryst. 34, 409-426]. From the analyses of these best-casescenario specimens, a series of recommendations for minimum standards of data collection and analysis are proposed. It is hoped that these will aid new QPA-by-Rietveld users in their analyses.

Automated summary

The study examines the impact of the quality of X-ray powder diffraction data and the number and type of refinable parameters on quantitative phase analysis using the Rietveld method. Based on the analysis of specimens, recommendations are proposed for minimum standards of data collection and analysis to assist new users in their analyses.