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Rietveld Refinement: Practical Powder Pattern Analysis using TOPAS

A new text on Rietveld refinement using TOPAS co-authored by Robert Dinnebier, Andreas Leineweber and John Evans has just been published. This page will contain links to various input files and datasets for the examples in the book.

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Data files and associated tutorials for each Chapter are given in the pages below. You can find all the .zip files with data and INP files at

Mathematica Scripts - Various chapters

Chapter 1 - The powder diffraction method

Chapter 2 - The Rietveld method

Chapter 3 - Structure independent fitting

Chapter 4 - Peak shapes Instrument * microstructure

Chapter 5 - Quantitative phase analysis

Chapter 6 - Restraints, constraints and rigid bodies

Chapter 7 - Solving crystal structures by the Rietveld method

Chapter 8 - Symmetry mode refinements

Chapter 9 - Magnetic refinements

Chapter 10 - Stacking disorder

Chapter 11 - Total scattering methods

Chapter 12 - Multiple data sets


The authors apologise for any errors that were inadvertantly made in the book. We will list any errors here.

P40, Table 2.2 - the monochromator angles for Mo-Ka1 radiation in Table 2.2 are incorrect. For Ge(111) the correct angle is 12.4 degrees; for Ge(220) the correct angle is 20.4 degrees.

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