xPDFsuite is an end-to-end software solution for high throughput Pair Distribution Function transformation, visualization and analysis.

It provides a convenient GUI for SrXplanar and PDFgetX3, allowing the users to easily obtain 1D diffraction pattern from raw 2D diffraction images and then transform them to PDFs. It also bundles PDFgui which allows the users to create structure models and fit to the experiment data. It is specially useful for working with large numbers of datasets such as from high throughout measurements. Some of the key features are:

  • Full featured, easy-to-use GUI;
  • Real time PDF transformation and plotting;
  • Flexible plotting and analyzing for single and multiple data sets;
  • Optimized for high throughput data processing;
  • 2D powder diffraction image integration;
  • Static and dynamic mask editing on 2D image;
  • Pearson correlation analysis on selected data-sets;
  • Written in Python and support Windows, Linux, and MacOSX

The xPDFsuite is currently requires a paid license from Columbia University. The cost and terms depend on whether it is used in an academic or commercial setting. Please consult Columbia Technology Ventures or  contact Beth Kauderer (techtransfer@columbia.edu) and Prof. Billinge (sb2896@columbia.edu) for more information.

Read more:

Obtain the software


Xiaohao Yang, Pavol Juhas, Christopher L. Farrow and Simon J. L. Billinge, xPDFsuite: an end-to-end software solution for high throughput pair distribution function transformation, visualization and analysis, arXiv 1402.3163 (2014)