EasySpin forum

thanasis

Models calculating susceptibilities, do so for the molar values of these quantities. The experimentalist must previously bring the measurements to these quantities by knowledge of sample mass, FW and experimental magnetic field, and also diamagnetic and sample holder corrections. The model is agnos...

thanasis

OK, but I am a git novice: if I understand, I either need to be invited as collaborator to your repo, or fork it and work on my fork. If so, which of the two do you suggest?

thanasis

Thanks for this Stefan. In levelsplot, line 197 I changed: colormap(flipud(parula)); --> colormap(flipud(Opt.ColorMap)); and I gave a new option when I invoke the command: Opt.ColorMap = jet; The only workaround I needed when doing this was to copy letter2vec.m from private to the functions director...

thanasis

I am trying to simulate a nutation experiment using spidyan. The sequence is: nutation pulse - decoherence delay - Hahn echo detection, i.e.: p_nut - Tdec - π /2 - τ - π - τ - echo. I am using a +/-100ns detection window. I have come up with the code below, partially based on this example and other ...

thanasis

I am in the process of getting a handle on saffron for simulations of pulse experiments. In particular, I am starting off from examples on the ES site and trying modifications. For comparison between the fast and thyme algorithms, I simulate a 2pESEEM experiment (single S=1/2 spin coupled to a 14N n...

thanasis

That's a really nice addition!

Is there a way to define a custom color palette for the various ms values?

Thanks,

Thanasis

thanasis

A custom function is indeed the way to go. You will need to make a vector with all the spectra on which you need to minimize the calculated ones. I guess you will also need to introduce a vector of relative weights, whose elements will each be a fitting variable. Then you feed the spin Hamiltonian a...

thanasis

One thing I don't understand is why you use such a convoluted way to extract the experimental parameters. This is as simple as: [B,spc,params] = eprload('etc.DTA'); Exp.mwFreq=params.MWFQ/1e9; Exp.Range=[min(B) max(B)]/10; Exp.nPoints=length(B); As it stands, your code is far too complicated to debu...

thanasis

The way your code is written, the three hyperfines are independent.

To tie two of the variables to the same value, you will need to pass through a custom function.

Take a look at this old post: https://easyspin.org/forum/viewtopic.php?p=863#p863

thanasis

If there is only a single electron spin, the second column is not needed, just a third line. You only make two of the three lines equal. E.g.
Sys.A = [A1; A2; A2]

The same as before applies to the format of A1/A2.

EasySpin forum

Search found 253 matches

Re: Molar Susceptibility Plot

Re: MS values in levelsplot

Re: MS values in levelsplot

Nutation simulation with spidyan

Saffron transients calculation with thyme (vs fast)

Re: MS values in levelsplot

Re: Global fit of several multicomponent cwEPR spectra with variable weights

Re: G values seem off by a constant factor

Re: Specifying nuclei in Easyspin for a biradical

Re: Specifying nuclei in Easyspin for a biradical