SimLabel: a GUI to simulate cw EPR from spin labeling

[Anastasiya]

Hello!
I am using the latest version of Easyspin and SimLabel (sept. 2020). I have experimental data originally in .par format (old Bruker format). With Easyspin, I save this data in .DTA and .DSC format. With SimLabel I try to open them and it gives the "No experimental frequency ..." error.
I add frequency using the syntax: Exp.mwFreq = 9.5;
eprsave ('New3', B, spc, Exp.mwFreq); ...
And I try again to start the spectrum in SimLabel, but again it gives the error "No experimental frequency ...".
Full text of the error:
No experimental frequency ...
Error using plot
Vectors must be the same length.

Error in simlabel / plotspecexp (line 4450)
hspecexp = plot (hspecaxes, Bexp, specexp, 'k', 'linewidth', 2); hold (hspecaxes, 'on');

Error in simlabel / loadexp (line 727)
plotspecexp (deltaB); % trace specter exp en tenant compte de deltaB

Error in simlabel / loadexpcllbck (line 669)
loadexp (filename {end}, path2exp);% affichage du dernier

Error while evaluating UIControl Callback.

How can you fix this?
Thanks for answers.

[Emilien]

Hello Anastasiya,
just load the original data! The .SPC files are visible in the open window when "Load Exp." is clicked.
Otherwise if you want to use the .DTA and .DSC just add manually at the end of the .DSC file something like (frequency in Hz):

Code: Select all

MWFQ    9.868092e+09

and save the file.
Cheers.

[l-chen@aist.go.jp]

Dear Emilien:

I am using old Bluker ESR to detect DMPO-C radicals and TTBNB-C radicals in organic solvent.
I'd like to analyses the spectra using MatLab/Easyspin/SimLabel (latest ver. 2020). However, when I run SimLabel, Error message(
エラー: ==
行列の次元は一致しなければなりません。

エラー: simlabel (行 339)
halltoolbar(halltoolbar==hzoomin)=[];%supprime 1 handle a conserver) always appeared.

Could you give me any way to solve the trouble. Thank you, waitting your a replay.

[Emilien]

Hello,
what is the matlab release you are using?
Are you sure you are using the SimLabel sept2020 release?
Emilien

[l-chen@aist.go.jp]

Dear Emilien

Thank you for your fast responds. I am sure that MatLab was R2020b. and SimLabel was dawnload
from page 5, the Massage post by you at Fri Sep 25, 2020 8:30 pm. Are there any deficiencies?

Could you check it.

Thank you very much.

Liang Chen

[Emilien]

I actually did not try the 2020b Matlab release...
You can try to comment the lines 333 to 342. It should work...

[l-chen@aist.go.jp]

Dear Emilien

Thank you for your nice work. The rearson of trouble in using SimLabel was found to be due to my MatLab R2020b in Japanese version. When I change to English version, SimLabel works smoothly. Very happy.

Thank you very much.

Liang Chen

[Emilien]

An updated version is available*!
Just replace the previous files...

SimLabel_Jul2021.zip

(1.27 MiB) Downloaded 1718 times

What's new:

• *.spe files from Magnettech can now be loaded,
• Easyspin conversion tool is run when "?" is clicked, instead of previous rigid scale,
• The tools zoom in, zoom out and pan are no more displayed, avoiding Matlab release issues.

SimLabel still does not work with EasySpin 6.0.0.

Suscribe this topic at the bottom of this page to be aware of new version!

More details on SimLabel (how it works, available features,..):

1. in the documentation (by clicking "?" on the SimLabel main panel),

2. in the following publication: Etienne at al, 2017, Magnetic Resonance in Chemistry, DOI: 10.1002/mrc.4578 (http://dx.doi.org/10.1002/mrc.4578)

*If you use some results obtained with the help of SimLabel in any scientific publication, please cite the paper above and Stoll et al, J. Magn. Reson. 178(1), 42-55 (2006).

[Emilien]

Hello every one,
I forget to comment a few lines in the last release. Before the next version, to avoid error when starting fitting or going back from fitting, just search the following lines and comment them!
the concerned lines:

Code: Select all

set (hzoomin,'enable','off');
set (hzoomout,'enable','off');
set (hhand,'enable','off');

and

Code: Select all

set (hzoomin,'enable','on');
set (hzoomout,'enable','on');
set (hhand,'enable','on');

To comment them, just insert '%':

Code: Select all

%  set (hzoomin,'enable','off');
%  set (hzoomout,'enable','off');
%  set (hhand,'enable','off');
...
%  set (hzoomin,'enable','on');
%  set (hzoomout,'enable','on');
%  set (hhand,'enable','on')

Enjoy

[Emilien]

An updated version is available*!
Just replace the previous files...

SimLabel_Sept2022.zip

(1.85 MiB) Downloaded 1828 times

What's new:

• hyperfine coupling values always given in mT, but values in MHz given in the tooltip,
• only 4 digits for g values / sliders steps adapted,
• splitting measurement available on spectra (see documentation, part G),
• documentation slightly updated,
• set gx value when Az is given, according to the correlation between Az and gx for nitroxides (see documentation, part C),
• resizing one SimLabel component window resizes all the component windows.

SimLabel still does not work with EasySpin 6.0.0.

Suscribe this topic at the bottom of this page to be aware of new version!

More details on SimLabel (how it works, available features,..):

1. in the documentation (by clicking "?" on the SimLabel main panel),

2. in the following publication: Etienne at al, 2017, Magnetic Resonance in Chemistry, DOI: 10.1002/mrc.4578 (http://dx.doi.org/10.1002/mrc.4578)

*If you use some results obtained with the help of SimLabel in any scientific publication, please cite the paper above and Stoll et al, J. Magn. Reson. 178(1), 42-55 (2006).