Mask for esfit

[bchica]

Hello,

is it possible to use a masking function to get esfit to ignore a region of the spectrum during fitting. I am trying to fit a spectrum with an S=3/2 species and an S=1/2 species. I just want to fit the inflections corresponding to the s=1/2 feature and ignore an inflection in the region from the s=3/2 system. is such a thing possible? thanks

[thanasis]

One way I found is this: cut up your spectrum to regions and fill the "masked" region with the value at the end of the previous region.

How I went about masking a central region:

Code: Select all

lim1 = beginning of the spectrum
lim2 = end of the 1st region
lim3 = beginning of the 2nd region
lim4 = end of the spectrum
spc_crop = [spc(lim1:lim2) ; zeros(lim3-lim2-1,1)+spc(lim2) ; spc(lim3:lim4)]; % Crop the spectrum

and then just

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esfit('pepper',spc_crop,Sys,Vary,Exp,[],FitOpt);

If you want just zeros, remove the +spc(lim2) part.

[Stefan Stoll]

Support for this is on our to-do list for the next major release of EasySpin.

[bchica]

Thanks for the reply. if there is no masking functionality currently I could probably get away with simulating the 3/2 signal along with the 1/2. the issue I have though is that when I try to do that the spectrum looks like it has a whole bunch of artifacts. I am looking at the high field region (x band 2800-4000 gauss) and the 3/2 signal has some inflections that are off the scale (4.3 and 3.65) and it seems this causes these artifacts to appear. do you know what causes this?