EasySpin forum

Please post a mininal and self-contained example script that shows how you envision this to work.

I suggest reaching out to the authors (particularly the corresponding author) of this paper. They will be best placed to answer your questions.

Thanks for reporting back. Your initial issue, where MATLAB could not locate some of the files from the private subfolder, is still puzzling. It seems to be unrelated to the compilation issues.

Understood, thanks.

The format specification for the SPE files that we have does not list a Timestamp or KineticSamplingTime parameter. We'll see if we can obtain a more up-to-date specification. Meanwhile, can you share the XML file corresponding to the SPE file you shared?

Currently, EasySpin only reads 1D .spe files.

Can you please share a two-dimensional .spe file so we can look into this?

Thanks for reporting the error in the fitting userguide!

Regarding the issue with garlic and esfit, please post your spin system variable DMPO_SYS and DMPO_VARY.

Use Sys.eeFrame. Demonstration:

clear, clc
Sys.S = [1/2 1/2];
Sys.dip = 10;

Sys.eeFrame = [0 0 0];
ham_ee(Sys)
Sys.eeFrame = [0 pi/4 0];
ham_ee(Sys)

Please post a specific example that has the behavior you are suggesting, so we can consider it.

There seem to be two unrelated issues here:

1. MATLAB can't find (some) p-files in the private folder. Unclear what is going on here.

2. The C/C++ compilation environment was not set up on your machine. Have you run mex -setup? See here.

It makes sure that the total spectra intensity is independent of nuclear spins. For example, 15N and 14N give 2 and 3 lines respectively, to give the same overall intensity, the 15N line intensities are divided by 2, and the 14N by 3.