A Python tool for plotting NMR spectra using nmrglue.

Full documentation at this website.

• You can use pip to directly install from this repository:

python -m pip install git+https://github.com/miguelarbesu/nmrplot

or

• Download (and uncompress), clone, or fork this repository in your computer.
• Open a command line terminal and go into the repository folder.
• Run python setup.py install or python -m pip install -e . for an editable installation (see the developers README).

nmrplot requires Python >=3.6.

You can call nmrplot for basic plotting 1D or 2D spectra from the command line:

nmrplot [OPTIONS] PATH

where PATH is the path to a particular Bruker NMR experiment number. Use the --help flag to see the possible options.

You import nmrplot.core as a module and it to compose complex figures using matplotlib in Python scripts or jupyter notebooks.

The core.Spectrum class is a wrapper for nmrglue functions to create a simplified object that holds data and spectral parameters for easy access.

Copyright (c) 2021, Miguel Arbesú

This module is a wrapper around nmrglue. If you use nmrplot, you must acknowledge (and cite) nmrglue too.

Project based on the Reproducible Science Cookiecutter.