EasySpin forum

Here's the code for summing the separated manifolds: Sys.g = [2.0088,2.0061,2.0023]; Sys.A = [6.2*2.8, 4.3*2.8, 35.9*2.8]; Sys.tcorr = 1e-8; Sys.lw = [0 0]; Sys.Nucs = '14N'; Exp.CenterSweep = [338.7 15]; Exp.mwFreq = 9.5; Exp.Harmonic = 0; Exp.nPoints = 4096; Opt.Output = 'separate'; Opt2.Output = ...

In principle, shouldn't the separate manifolds add up to the summed simulation with a three times the intensity? I have found this not to be the case using chili.

After playing around with 'separate' and 'summed' for a while, I've noted that when you include any line broadening, the 'separate' option tends to get a little messed up. I'm currently running simulations with a 0.2 mT line broadening, and that results in identical manifold shapes with different in...

Thanks Matt. That's precisely what I was looking for.

For those interested, you can export the simulation into a three column matrix and isolate each column.

Thanks again.

Is there a way to visualize the contributions of each nuclear quantum number separately? We are interested in seeing how the mi = +/- 1 manifolds change as a function of rotational correlation time, but want to avoid the effects of overlap.