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Authors: John S.O. Evans
Abstract:Topas is a powerful and flexible software suite for the analysis of powder diffraction (and other) data. In this paper we describe methods...
1
Authors: Pamela S. Whitfield, Isobel J. Davidson, Lyndon D. Mitchell, Siobhan A. Wilson, Stuart J. Mills
Abstract:The TOPAS macro language can be a powerful tool for increasing the capabilities of X-ray powder diffraction analysis. New corrections and...
11
Authors: Kevin H. Stone, P.W. Stephens
Abstract:A robust refinement procedure is implemented in the program TOPAS through an iterative reweighting of the data. Examples are given of the...
27
Authors: Ian C. Madsen, Ian E. Grey, Stuart J. Mills
Abstract:A study of the thermal decomposition sequence of a sample of natural arsenian plumbojarosite has been undertaken using in situ X-ray...
37
Authors: Ivan Halasz, Robert E. Dinnebier
Abstract:Molecular motion by refinement of TLS matrices from high resolution laboratory powder diffraction data: implementation in the program TOPAS...
65
Authors: Ivan Halasz, Robert E. Dinnebier
Abstract:A simulated annealing like optimization method has been successfully applied for the determination of global minimum of equation of state...
71
Authors: Melanie Müller, Robert E. Dinnebier, Naveed Z. Ali, Branton J. Campbell, Martin Jansen
Abstract:The first order phase transition of CsFeO2 was investigated using synchrotron powder diffraction data as a function of temperature. Two...
79
Authors: Paneerselvam Rajiv, Robert E. Dinnebier, Martin Jansen
Abstract:A new program to perform fast sequential and parametric whole powder profile refinement of in situ time-resolved powder diffraction data is...
97
Authors: Ali Samy, Robert E. Dinnebier, Pavel E. Kazin, Sander van Smaalen, Martin Jansen
Abstract:A set of macros for the powerful least squares and global optimization program TOPAS has been written in order to create a user friendly...
105
Showing 1 to 10 of 16 Paper Titles