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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
  • Processing data: including window, zero-filling, Fourier transforms, alignment, etc.

Requirements

  • Python 3.6 or Later
  • odnpLab 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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