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A package for NMR data processing

Project description

NMR tools

The nmrtools pacakage provides a set of tools for processing NMR time domain data. Currently, you can only convert NMR time domain binary files to numpy array and vice versa for Bruker NMR data.

By default the package works on 1D and 2D NMR data. To customize for your own data you can use this Jupyter notebook. Future releases will include support for ML models for NMR data processing.

This project is part of Pratiman's master's thesis at the National Institute of Science Education and Research (NISER), Bhubaneswar, India.

Example usage

Currently, there are 2 cli commands available. ser2np and np2ser. ser2np converts the binary file to numpy array and np2ser converts the numpy array to binary file. Use --help to see the available options.

ser2np --input path/to/input/folder --output path/to/output/folder --npi 128 --npd 2048 --b 0
np2ser -input path/to/npy/file --output path/to/output/folder --b 0

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