EasySpin forum

Dear EasySpin community,

I've been trying to write a script to simulate the T1 and T2 parameters from a power saturation curve and the lineshape of individual spectra.

As far as I can see, these simulations cannot be performed with the available functions available with EasySpin. I lack much experience in coding, and so I've been struggling to construct a script capable of simulating the spectrum.

Does anybody have resources or scripts they might be willing to share to help out?

Thanks in advance to all who respond.

EasySpin is not able to simulate CW EPR spectra under saturating conditions.

I am not sure what your ultimate goal is, but if you are doing a progressive power saturation analysis to find the half-saturation power, extract the peak-to-peak amplitudes from your experimental spectra, and then use esfit to fit them to a power saturation curve.

I believe that the utility of this would be to use saturation effects on the line shapes as a poor man's pulsed EPR spectrometer to extract T1.

E.g. rapid passage effects could be simulated to yield information on T1, instead of just being a nuisance.

That being said, I don't know the complications of something of the sort.