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Profex is a graphical user interface for Rietveld refinement of powder X-ray diffraction data with the program BGMN. It provides a large number of convenience features and facilitates the use of the BGMN Rietveld backend in many ways. Some of the program’s key features include:

  • Support for a variety of raw data formats, including all major instrument manufacturers (Bruker / Siemens, PANalytical / Philips, Rigaku, Seifert / GE, and generic text formats)
  • Export of diffraction patterns to various text formats (ASCII, Gnuplot scripts, Fityk scripts), pixel graphics (PNG), and vector graphics (SVG)
  • Batch conversion of raw data scans
  • Automatic control file creation and output file name management
  • Conversion of CIF and ICDD PDF-4+ XML structure files to BGMN structure files
  • Export of refined crystal structures to CIF and Castep CELL format
  • Internal database for crystal structure files, instrument configuration files, and predefined refinement presets
  • Computation of chemical composition from refined crystal structures
  • Batch refinement
  • Export of refinement results to spreadsheet files (CSV format)
  • Context help for BGMN variables
  • Syntax highlighting
  • Enhanced text editors for structure and control file management and editing
  • Generic support for FullProf.2k as an alternative Rietveld backend to BGMN
  • And many more…

Profex runs on Windows, Linux, and Mac OS X operating systems and is available as free software licensed under the GNU General Public License (GPL) version 2 or any later version.

Reference

Profex and BGMN are free to use and share, but users are kindly asked to cite the following open access publication if results generated with Profex are published in any form:

Döbelin, N., Kleeberg, R., „Profex: a graphical user interface for the Rietveld refinement program BGMN„, Journal of Applied Crystallography 48 (2015), 1573-1580.

DOI: doi:10.1107/S1600576715014685

Current Version

Profex 3.9.2

Released June 15, 2016

Screenshots

Main Window

Profex main window with phase quantities

Reference hkl lines

Reference hkl lines for corundum

Stacked Scans 1

Stacked Scans

Control File Editor

Control File Editor

List File

List File Editor with refinement results

Structure Database

Crystal Structure Database