Convert X-ray powder diffraction data and metadata to NeXus

Who is this tutorial for?

This document is for X-ray diffraction scientists who want to standardize their research data by converting these into a NeXus standardized format.

What should you know before this tutorial?

• You should have a basic understanding of NeXus and FAIRmat's contribution to NeXus and pynxtools

What you will know at the end of this tutorial?

You will have a basic understanding how to use pynxtools-xrd for converting XRD data to a NeXus/HDF5 file.

Steps

Installation

See the installation tutorial for how to install pynxtools together with the XRD reader plugin.

Running the reader from the command line

An example script to run the XRD reader in pynxtools:

user@box:~$ dataconverter $<xrd-file path> $<eln-file path> --reader xrd --nxdl NXxrd_pan --output <output-file path>.nxs

You can find an example .xrdml file in tests/data/xrdml_918-16_10.

Congrats! You now have a NeXus file!