Convert MPES data and metadata to NeXus¶

Who is this tutorial for?¶

This document is for people who want to use this reader as a standalone application for converting their research data into a standardized NeXus format.

What should you should know before this tutorial?¶

You should have a basic understanding of FAIRmat NeXus and pynxtools
You should have a basic understanding of using Python and Jupyter notebooks via JupyterLab

What you will know at the end of this tutorial?¶

You will have a basic understanding how to use pynxtools-mpes for converting your MPES data to a NeXus/HDF5 file.

Steps¶

Installation¶

See here for how to install pynxtools together with the MPES reader plugin.

Running the reader from the command line¶

An example script to run the MPES reader in pynxtools:

 ! dataconverter \
--reader mpes \
--nxdl NXmpes_arpes \
$<mpes-file path> \
$<eln-file path> \
-c $<config-file path> \
--output <output-file path>.nxs

Examples¶

You can find exhaustive examples how to use pynxtools-mpes for your ARPES research data pipeline in src/pynxtools-mpes/nomad/examples. These are designed for working with NOMAD and its NOMAD Remote Tools Hub (NORTH).

There are also small example files for using the pynxtools dataconverter with the mpes reader and the NXmpes application definition in tests/data.

For this tutorial, we will work with this data. You can run the conversion as

dataconverter \\
    --reader mpes \\
    --nxdl NXmpes_arpes \\
    xarray_saved_small_calibration \\
    eln_data.yaml \\
    -c  config_file.json \\
    --output mpes_example.nxs

Congrats! You now have a FAIR NeXus file!