Parameter Optimisation by Iterative Spectral Evaluation, a TopSpin-compatible NMR package
Project description
Parameter Optimisation by Iterative Spectral Evaluation
POISE is a Python package for the numerical optimisation of NMR parameters. The frontend runs in Bruker's TopSpin software, and is connected to a Python 3 backend.
POISE can be installed using pip:
pip install nmrpoise
Documentation is hosted at https://nmrpoise.readthedocs.io/.
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