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https://github.com/dnplab/dnplabrelease


https://github.com/dnplab/dnplabrelease

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README

          

# DNPLab - Bringing the Power of Python to DNP-NMR Spectroscopy

DNPLab is a collaboration between:
- [Bridge12 Technologies, Inc.](http://www.bridge12.com/)
- [Han Lab UCSB](https://han.chem.ucsb.edu/)
- [Franck Lab Syracuse University](https://jmfrancklab.github.io/)

Authors:
Timothy Keller, Thomas Casey, Yanxian Lin, John Franck, Thorsten Maly, Songi Han

DNPLab is an open-source, python library for importing and processing DNP-NMR data.

# Features

- Import DNP-NMR data from Topspin, VnmrJ, and Prospa formats
- Construct N-dimensional data objects easily
- Process data using apodization, zero-filling, Fourier transformations, alignment, etc.
- Analyze data using the hydration module

# Requirements

- Python 3.6 or Later
- DNPLab requires: numpy, matplotlib, scipy, h5py, PyQt5

To install the required packages, perform:
```console
pip install numpy matplotlib scipy h5py PyQt5
```

# Installation

DNPLab can be installed via pip:

```console
pip install dnplab
```

# Documenation

Find the online documentation at: http://docs.dnplab.net

# Developement

- Clone the git repository from https://github.com/DNPLab/dnpLab