PDFgetX3
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 |
| How-to | |
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Installed on the central cluster and callable via: |
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| Documentation / Tutorials | |
| References | |
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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" |
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| Instruments | ID15A (ESRF) ID22 (ESRF) |
| File | Size | Download |
|---|---|---|
| pdfgetx3-examples.zip | 1.0 MB | Download |
