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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

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