DNPLab - Bringing the Power of Python to DNP-NMR Spectroscopy
Project description
DNPLab - Bringing the Power of Python to DNP-NMR Spectroscopy
DNPLab is a collaboration between:
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:
pip install numpy matplotlib scipy h5py PyQt5
Installation
DNPLab can be installed via pip:
pip install dnplab
Documenation
Find the online documentation at: http://docs.dnplab.net
Developement
- Clone the git repository from https://github.com/DNPLab/dnpLab
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