pocketchemist-nmr

NMR analysis tools for pocketchemist

Project description

# PocketChemist - NMR

The pocketchemist NMR plugin is used to process and analyze data from Nuclear Magnetic Resonance (NMR).

## Contributing

### Procedure for new processing Methods

Implement the new procedure in the NMRSpectrum abstract base class
Implement metadata updates in the NMRSpectrum concrete subclasses as well as implementation details through parameters in the called parent method
Implement the CLI for the new process
Add tests to verify that the implementation matches an existing processed spectrum, if it exists
Add documentation for the new CLI functionality and python interface on the new process
Increase the minor version

# Credits

This version

0.2.1

Apr 28, 2022

0.1.0

Jan 9, 2022

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Uploaded Apr 28, 2022 Source

Uploaded Apr 28, 2022 Python 3

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