Documentation for pynxtools-xrd

pynxtools-xrd is a free and open-source data software for harmonizing X-ray diffraction data and metadata for research data management using NeXus, implemented with the goal to make scientific research data FAIR (findable, accessible, interoperable, and reusable).

pynxtools-xrd, which is a plugin for pynxtools, provides a tool for reading data from .xrdml files that were obtained with PANalytical X'Pert PRO version 1.5 (instruments). The tool standardizes these data such that it is compliant with the NeXus application definitions NXxrd_pan. pynxtools-xrd is developed both as a standalone reader and as a tool within NOMAD, which is the open-source data management platform for materials science we are developing with FAIRmat.

pynxtools-xrd is useful for scientists from the X-ray powder diffraction community that wish to explore standardization of their data using NOMAD.

Tutorial

• Installation guide
• Standalone usage
• Development install

How-to guides

Learn

Reference

Contact

For questions or suggestions:

• Open an issue on the pynxtools-xrd GitHub
• Join our Discord channel
• Get in contact with our lead developers.

Project and community

The work is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - 460197019 (FAIRmat).