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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