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Package for reproducible evaluation of SCREAM-DNP data.

Project description

Welcome! This is screamlab, a Python package for the evaluation of relaxation processes in multi-spin system observed by SCREAM-DNP (Specific Cross Relaxation Enhancement by Active Motions under Dynamic Nuclear Polarization).

Features

A list of features:

  • Spectral deconvolution with various possible lineshapes (Gaussian, Lorentzian, Voigtian)

  • Global fitting of spectra with consistent parameters

  • Subsequent fitting of peak areas over time with exponential or biexponential behavior, or involving Solomon equations for a more complex fitting.

And to make it even more convenient for users and future-proof:

  • Open source project written in Python (>= 3.7)

  • High test coverage

  • Extensive user and API documentation

License

This program is free software: you can redistribute it and/or modify it under the terms of the BSD License. See the file LICENSE for more details.

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