Dear reader,
this repository pertains to the manuscript "Low-field proton relaxation and rapid resonant thermalization in hyperpolarized glasses" and contains:
- the experimental data (Bruker Topspin) for DNP juice samples (subfolders of "/Jrampcorr/") and water-glycerol samples (subfolders of "/WGrampcorr/")
- each subfolder contains jupyter notebooks with the analysis of the corresponding data
- simulated EPR spectra in ("/EPR_sim/")
- relaxation modeling via triple-spin-flips for water-glycerol ("/TSF-calc/")
To run the notebooks you will need python (we used python 3.x), some software to run jupyter notebooks and the following packages:
- paramiko<4
- numpy
- scipy
- matplotlib
- jupyterlab
- ipykernel
- spinthon
Also needed is pyNMR package for which we supply the version used here (in the folder "software_pynmr") as it may differ somewhat from the latest github version.
Alternatively, you can study the corresponding htmls to all notebooks in your browser.
Enjoy!
PS & MJ