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Advanced Input Files & Parametric Quantitative Analysis Using Topas

Journal Materials Science Forum (Volume 651)
Volume Extending the Reach of Powder Diffraction Modelling
Edited by Paolo Scardi and Robert E. Dinnebier
Pages 1-9
DOI 10.4028/www.scientific.net/MSF.651.1
Citation John S.O. Evans, 2010, Materials Science Forum, 651, 1
Online since May, 2010
Authors John S.O. Evans
Keywords jEdit, Powder Diffraction, Quantitative Analysis, Rietveld Refinement
Abstract

Topas is a powerful and flexible software suite for the analysis of powder diffraction (and other) data. In this paper we describe methods to interact with the software in efficient and customisable ways. We also provide brief details of a wiki site for sharing ideas and methods for this software (topas.dur.ac.uk). Finally we give an overview of the potential advantages of parametric refinement methods within Topas and exemplify them with a quantitative analysis study of the phase transitions in WO3.

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