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by Emilien
Tue Apr 06, 2021 7:18 am
Forum: General forum
Topic: S=2 simulations
Replies: 7
Views: 6734

Re: S=2 simulations

The strain is modeled by a gaussian distribution both in ES and in the paper. The only difference is how is characterized this gaussian distribution. FWHM is used in ES. Standard deviation is used in the paper (FWHM=2.sigma.(2.ln(2)) 0.5 =2.3548.sigma). Then I replace the corresponding line in the f...
by Emilien
Wed Mar 31, 2021 1:30 am
Forum: General forum
Topic: S=2 simulations
Replies: 7
Views: 6734

Re: S=2 simulations

I have an experimental spectra that looks like the one in the figure 5.
Unfortunately easyspin seems not to be able to simulate this spectra... whatever the parameters are...
Moreover, I found some simulated spectra in the litterature. I can not imagine that they all are wrong...

by Emilien
Thu Mar 25, 2021 10:49 am
Forum: General forum
Topic: S=2 simulations
Replies: 7
Views: 6734

S=2 simulations

Hello, I try to simulate S=2 spectra from Fe II proteins, in parallel mode. First of all I'd like to reproduce a simulation found in the litterature ( Hendrich, BiophysJ 1989 ), Fig 5.a. Hendrich1989.jpg Here is the code I wrote: Sys.S=2; Sys.g=[2 2.06 2.14]; D=-8;%K E=-2.05;%K Sys.D=[D E]*0.7*29979...
by Emilien
Fri Jan 29, 2021 2:08 am
Forum: EasySpin file exchange
Topic: Some tools for CW data processing
Replies: 1
Views: 10343

Some tools for CW data processing

Dear All,

In addition to SimLabel, I have developped some GUI for simple cw EPR data processing. These tools are available on the dedicated page of the website of the EPR facility where I work.
I believe that some of you might find these tools useful.
Emilien

pub_tools.jpg
pub_tools.jpg (102.7 KiB) Viewed 10343 times
by Emilien
Wed Jan 27, 2021 8:19 am
Forum: Bugs
Topic: eprsave() with 2D dataset saves to wrong file extension
Replies: 6
Views: 8763

Re: eprsave() with 2D dataset saves to wrong file extension

I forgot:
Generating an empty .YGF is OK for my applications... The modification of the sesond axis by eprsave is more a problem...

by Emilien
Wed Jan 27, 2021 8:16 am
Forum: Bugs
Topic: eprsave() with 2D dataset saves to wrong file extension
Replies: 6
Views: 8763

Re: eprsave() with 2D dataset saves to wrong file extension

What do you mean by "the associated axis is non-linear"? If I type: eprsave('toto',{323:332,[0 300 600 900 1200]},ones(10,5)) eprsave('toto',{323:332,[0 300 600 900 1200]'},ones(10,5)) eprsave('toto',{[323:332]',[0 300 600 900 1200]},ones(10,5)) eprsave('toto',{[323:332]',[0 300 600 900 12...
by Emilien
Tue Jan 26, 2021 2:34 am
Forum: Bugs
Topic: eprsave() with 2D dataset saves to wrong file extension
Replies: 6
Views: 8763

Re: eprsave() with 2D dataset saves to wrong file extension

Hello,
in the latest release (5.2.29), no .YGF file is generated when eprsave is used with 2D data set...
Emilien

by Emilien
Sat Nov 28, 2020 4:05 am
Forum: EasySpin file exchange
Topic: SimLabel: a GUI to simulate cw EPR from spin labeling
Replies: 62
Views: 461975

Re: SimLabel: a GUI to simulate cw EPR from spin labeling

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): MWFQ 9.868092e+09 and save the file. Chee...
by Emilien
Fri Nov 06, 2020 4:06 am
Forum: EasySpin file exchange
Topic: SimLabel: a GUI to simulate cw EPR from spin labeling
Replies: 62
Views: 461975

Re: SimLabel: a GUI to simulate cw EPR from spin labeling

At the moment, SimLabel can not be used with EasySpin 6.0.0.

by Emilien
Fri Sep 25, 2020 4:30 am
Forum: EasySpin file exchange
Topic: SimLabel: a GUI to simulate cw EPR from spin labeling
Replies: 62
Views: 461975

Re: SimLabel: a GUI to simulate cw EPR from spin labeling

An updated version is available * ! Just replace the previous files... SimLabel_Sept2020.zip What's new: - bugs depending on Matlab release fixed, - bugs when starting esfit with several components, some with hyperfine coupling, others without. Suscribe this topic at the bottom of this page to be aw...

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