PDFgetX3 and PDFgetN3

PDFgetX3 and PDFgetN3 are command-line utilities that extract atomic pair distribution function (PDF) from X-ray or constant-wavelength neutron powder diffraction data. PDFgetX3 and PDFgetN3 are easy to use, fast and convenient for automated batch processing. The interactive mode provides complete access to all parameters and intermediate results, as well as live-plotting feature that helps to tune conversion parameters and visualize their effect on the results. PDFgetX3 and PDFgetN3 are distributed together with Python library diffpy.pdfgetx, which provides the underlying PDF-processing functions and can be utilized in custom PDF-conversion scripts.

The software is free for open academic research, but requires paid license for commercial use.

PDFgetX3 is incorporated in the powerful end-to-end x-ray PDF analysis package xPDFsuite. xPDFsuite is designed for flexible, high throughput PDF analyses and contains many features for interrogating, comparing and modeling data as well as simply doing data reduction.

The academic license for PDFgetX3 and PDFgetN3 can be obtained for free from the Columbia Technology Ventures, provided the software will be used for open academic research.

If you plan to use the software in any other way, please contact Beth Kauderer at Columbia Technology Ventures.

References

If you use this software for a scientific research that leads to publication, we ask that you acknowledge the use of the software by citing the following paper in your publication:

For publications that use this software to process neutron diffraction data we ask you to also cite: