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a package with useful scripts for X-ray diffraction physicists

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xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis.

It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid).

More detailed description as well as documentation can be found at webpage http://xrayutilities.sourceforge.net/.

Downloads for windows can be found on http://pypi.python.org/pypi/xrayutilities

Development is performed on github: https://github.com/dkriegner/xrayutilities

xrayutilities Web Site


  • works on all major platforms (python package with c-extension)
  • powerful reciprocal space conversion functions for arbitrary goniometers
  • works with diffraction data from point, linear and area detectors
  • parsing of several common data formats (spec, edf, xrdml, cbf, cif ...)
  • material sub-package for describing crystalline matter
  • diffraction angle calculation for crystalline materials


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Intended Audience


Programming Language

Python, C



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