Simulating CW saturation spectra for T1 and T2

[mattwood]

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.

[Stefan Stoll]

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.

[thanasis]

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.