Profex: a graphical user interface for the Rietveld refinement programBGMN

Abstract

Profexis a graphical user interface for the Rietveld refinement programBGMN. Its interface focuses on preservingBGMN's powerful and flexible scripting features by giving direct access toBGMNinput files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort.Profexreads and converts a variety of proprietary raw data formats and is thus largely instrument independent.ProfexandBGMNare available under an open-source license for Windows, Linux and OS X operating systems.