Full Profile Fitting Pawley, Le Bail

Full profile fitting can be useful for various tasks including unit cell refinement involving peak overlap, space group assignment, extracting intensities prior to structure solution, and pre-structure refinement fitting of the powder pattern. The two main methods are listed below. 

1 Le Bail Software. A Rietveld program could be considered somewhat antiquated if it did not have some form of Le Bail fitting option 

Bilbao Crystallographic Server, Euskal Herriko Unibertsitatea/ University of the Basque Country, 2005, http //www.cryst.ehu.es/ 

The Computational Crystallography Toolbox crystallographic algorithms in a reusable software framework, R. W. Grosse Kunstleve, N. K. Sauter, N. W. Moriarty, P. D. Adams, J. Appl. Crystallogr., 2002, 35, 126 136 A real space computer based 

Crystallography Volume A Space group symmetry ed. Theo Hahn, Published for the International Union of Crystallography by 

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