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The attached files contain software developed for the simulation of pulsed EPR and ENDOR spectra of Gd(III) spin labels, including ENDOR spectra. The results obtained using this software are published at https://doi.org/10.26434/chemrxiv-2023-hg5zc
The folder "Simulations.zip" contains all final simulation files used in this work
Features
- analytical form of Mims ENDOR line positions and intensities
- orientation selection by phenomenological orientation distribution function
- Gd-F (Gd-H) Gaussian distance distributions possible
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