NOMAD's Measurements Plugin

This is a plugin for NOMAD which contains base sections for materials science measurements.

The nomad_measurements.xrd module supports parsing of following vendor-specific file formats:

• .rasx (Rigaku)
• .xrdml (Malvern Panalytical)
• .brml (Bruker)

Getting started

nomad-measurements can be installed from PyPI using pip. Currently we require features in nomad-lab which are not published to PyPI. In order to install these a --index-url needs to be provided:

pip install nomad-measurements --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple

Setting up your OASIS

Read the NOMAD plugin documentation for all details on how to deploy the plugin on your NOMAD instance.

You need to modify the nomad.yaml configuration file of your NOMAD instance. To include, for example, the XRD plugin you need to add the following lines: .

plugins:
  include:
  - 'parsers/nomad_measurements/xrd'
  options:
    parsers/nomad_measurements/xrd:
      python_package: nomad_measurements.xrd.parser

Development

This code is currently under development and for installing and contributing you should clone the repository:

git clone git@github.com:FAIRmat-NFDI/nomad-measurements.git
cd nomad-measurements

And install the package in editable mode with the development ('dev') dependencies:

pip install -e .[dev]