diffpy.labpdfproc

Tools for processing x-ray powder diffraction data from laboratory sources.

PDFgetX3 has revolutionized how pair distribution function (PDF) methods can be applied to solve nanostructure problems. However, the program was designed for use with Rapid Acquisition PDF (RAPDF) data from synchrotron sources. A key approximation inherent in the use of PDFgetX3 for RAPDF data is that absorption effects are negligible. This is typically not the case for laboratory x-ray diffractometers, where absorption effects can be significant.

This app is designed to preprocess data from laboratory x-ray diffractometers before using PDFgetX3 to obtain PDFs. The app currently carries out an absorption correction assuming a parallel beam capillary geometry which is the most common geometry for lab PDF measurements.

../_images/labpdfproc.png

Installation

For the most up-to-date installation instructions, please refer to the installation section of the diffpy.labpdfproc README page on GitHub.

Running labpdfproc

To run diffpy.labpdfproc after installation, type the command:

labpdfproc

Tutorials

Tutorials on how to use diffpy.labpdfproc can be found at the diffpy.labpdfproc documentation.

Documentation

Documentation for diffpy.labpdfproc is available at https://www.diffpy.org/diffpy.labpdfproc.