Profex – Rietveld refinement of powder X-ray diffraction (XRD)

Profex is a program for Rietveld refinement of powder X-ray diffraction (XRD) data based on the refinement kernel BGMN. It can be used for phase identification, phase quantification, structure refinement, and provides a large number of convenience features.

This is cross-platform software running under Linux, macOS, and Windows.

Profex is free and open source software.

Features include:

• XRD scan files:
  • Reads a variety of raw data formats, including all major instrument manufacturers (Bruker / Siemens, PANalytical / Philips, Rigaku, Thermo Fisher, Seifert / GE, and generic text formats)
  • Display stacked scans.
  • Export scan files to generic text formats.
  • Export graphs to PNG or SVG vector format.
  • Supports laboratory, synchrotron, and neutron diffraction data.
• Phase Identification:
  • Full-pattern search-matching using the internal structure database (~1000 structure files).
  • Peak detection and export of peak lists for search-matching with 3rd party software (e.g. Match! or QualX2).
  • Double-click on strongest peak to list best matches.
  • Browse COD database.
  • Import CIF files from COD and XML files from ICDD PDF-4+ database.
• Rietveld Refinement:
  • Phase quantification and structure refinement.
  • Profile calculation based on fundamental parameters approach (FPA).
  • Graphical editor for instrument configurations.
  • Graphical wizard to create refinement projects.
  • Unattended refinements (no iterative refinements requiring user input).
  • Batch refinements.
  • Supports Rietveld refinement, LeBail profile fitting, and refinement of calibrated structure factor lists.
  • Presets for 1-click refinements.
  • Powerful scripting language.
• Refinement results:
  • Export refined parameters to CSV files (e.g. for import in Excel).
  • Export refined structures to CIF format.
  • Export publication-quality graphs to SVG vector format.
  • Draw electron density maps (Fobs, Fcalc, Fobs-Fcalc).
  • Export peak list.
  • Compute refined chemical composition.

Website: www.profex-xrd.org
Support:
Developer: Profex
License: GNU General Public License v2.0

Profex is written in C++. Learn C++ with our recommended free books and free tutorials.

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