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.
|Licenses||Academic Free License 3.0|
|Categories||Powder Diffraction PDF|
|Hardware Requirements||-||Platforms||Linux Windows|
|Input Formats||There are no input formats associated to this software.|
|Output Formats||There are no output formats associated to this software.|
Installed on the central cluster and callable via:
|Documentation / Tutorials|
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)|