Reproducing spectral simulations
Hello,
I am currently working on a project that involves reproducing EPR spectra similar to those shown in the figure I’ve attached, specifically related to pulsed and CW-like W-band EPR spectra. I would like to know if there is an EasySpin code example that can be used to replicate the results shown in the literature (as seen in the figure, where various states like S3Ca and S3MeOH are examined).
My goal is to replace the data in the example with those from the paper, in hopes of reproducing the spectra under similar experimental conditions. Can anyone share relevant code snippets or guide me on how to properly configure EasySpin to simulate EPR spectra for a system like the one shown?
I’m looking to understand how to implement this in EasySpin, especially in the context of simulating pulsed and CW EPR experiments as shown. Any advice or insights on this would be greatly appreciated!
Thank you for your help!
Best regards,
Nie