A plugin for pynxtools to convert XRD into NeXus application definitions.
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Project description
A reader for XRD data
Installation
It is recommended to use python 3.12 with a dedicated virtual environment for this package. Learn how to manage python versions and virtual environments.
This package is a reader plugin for pynxtools and thus should be installed together with pynxtools:
pip install pynxtools[xrd]
for the latest development version.
Purpose
This reader plugin for pynxtools is used to read X-ray diffraction experiment data and metadata and convert these into a NeXus file (HDF5 file with extension .nxs)
according to the NeXus application definition NXxrd_pan.
Specifically, the plugin maps data and metadata from .xrdml files that were obtained with PANalytical X'Pert PRO version 1.5 (instruments).
Status quo
This reader is considered in development.
Contact person in FAIRmat for this reader
Rubel Mozumder Markus Kühbach
How to cite this work
Mozumder, R., Shabih, S., Kühbach, M., Pielsticker, L. & Brockhauser, S. (2025). pynxtools-xrd: A pynxtools reader plugin for X-ray diffraction data. Zenodo. https://doi.org/10.5281/zenodo.16606403
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