Installation of pynxtools

Latest Release Version

You can install the latest release version by:

pip install pynxtools[raman]

As pynxtools-raman is a plugin of pynxtools, pynxtools itself will as well be installed.

Latest Development Version

Download the repository via git clone:

git clone https://github.com/FAIRmat-NFDI/pynxtools-raman.git

Switch to the project root folder:

cd pynxtools-raman

You see three Folders: - examples: contains example datasets to show how the data conversion is done (currently one example from WITec and one example from the Raman Open Database) - tests: contains a test procedure and files, which are required for software development - src/pynxtools_raman: source files, which contain the sub-reader function for Raman experiments. This only works in combination with the Python package pynxtools. pynxtools-raman has a reader reader plugin for pynxtools, which is a specialization of the Multiformat Reader. There are as well sub-reader functions for a WITec device and files from the Raman Open Database. In addition, default config.json files are located in src/pynxtools_raman/config. These are necessary to map the input data via the Multiformat Reader to the NeXus concepts. These config files allow individual adjustments, as different laboratories may have different electronic lab notebook structures. You can find more information about the config file here.

Consider setting up an invididual python environment, to seperate the python functionalities of this package from the python functionalities of your operating system:

For Ubuntu-based systems:

python -m venv .pyenv
source .pyenv/bin/activate

Verify its location via:

which python

It should point to the python folder, you created above with the name .pyenv.

Install the python package:

pip install .

You then can check if pynxtools-raman is installed via:

pip list