NMR tools

A small set of tools to work with NMR data in untargeted metabolomics, built on top of nmrglue and Numpy.

Features

• Simulation of 1D spectra of mixtures.
• Multiplet annotation algorithm.
• STOCSY utilities (computation and plotting)

Installation

git clone https://www.github.com/griquelme/nmrtools
cd nmrtools
pip install .