NMR-EsPy: Nuclear Magnetic Resonance Estimation in Python
Project description
Simon Hulse and Mohammadali Foroozandeh, University of Oxford
NMR-EsPy: Nuclear Magnetic Resonance Estimation in Python is a Python package developed for estimating the parameters that describe NMR data.
Getting started:
Installation: python -m pip install nmrespy
HTML Documentation: https://foroozandehgroup.github.io/NMR-EsPy/
Check out the Example Walkthrough page in the docs for a tutorial on NMR-EsPy’s basic usage.
This 2022 JMR paper provides a detailed description of the theory behind NMR-EsPy and showcases a couple of results derived using it.
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