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A package to analyse the data generated by the frappy/NICOS interface, with the TNMR setup at Paul Scherrer Institut, Villigen, Switzerland

Project description

DNMR

The Data Analysis, Visualisation, and Interpretation Software for Nuclear Magnetic Resonance (DAVISNMR, or more simply DNMR) is a piece of software including a GUI to read and analyse files generated by the frappy-Tecmag NMR interface described here.

Features

  • Quick comparison of completely separate datasets (parallel viewing and handling)
  • Equally quick loading and combination of separate-but-related datasets for analysis (live concatenation of datasets)
  • Auto or manual data re-phasing, both for individual data points or in bulk
  • View time-domain and frequency-domain data
  • Apply easily-customisable filters to time-domain data
  • Common NMR analysis workflows including T1 fitting, field scans, and inverse Laplace transforms (ILTs)
  • Export processed data into an easy-to-handle CSV format
  • Easily extensible framework for custom analyses
  • Limited support for .TNT files natively generated by Tecmag's TNMR program

Installation

This software is available on Pip:

python -m pip install DNMR

Running

Simply load the software as a module. For example:

python -m DNMR

Any additional arguments will be loaded as datafiles into the zero-th channel. I.e., if you wanted to load "test_file_0p25K.hdf" and "test_file_1K.hdf" together, you'd run:

python -m DNMR test_file_0p25K.hdf test_file_1K.hdf

(one could also just use the buttons and dialogs in the GUI)

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