PDFgetX3 is a command-line utility for converting X-ray powder diffraction data to atomic pair distribution functions (PDF) in automated batch processing. The interactive mode provides complete access to all parameters and intermediate results, as well as live-plotting feature for parameters tuning and visualization of their effects on the results. PDFgetX3 can be used either as a standalone application or as a Python library of PDF-processing functions.

Website http://www.diffpy.org/products/pdfgetx3.html
Licenses Academic Free License 3.0
Categories Powder Diffraction PDF
Software Requirements -
Hardware Requirements -
Platforms Linux Windows
Languages Python
Input Formats There are no input formats associated to this software.
Output Formats There are no output formats associated to this software.
Contact email sb2896@columbia.edu

Installed on the central cluster and callable via:>pdfgetx3

Documentation / Tutorials

User manual


J. Appl. Crystallogr. 46, 560-566 (2013) P. Juhás and T. Davis, C. L. Farrow, S. J. L. Billinge, "PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions"

Instruments ID15A (ESRF) ID22 (ESRF)
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There are 1 example datasets for this software
File Size Download
pdfgetx3-examples.zip 1.0 MB Download