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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