Search found 7 matches

by moreutz
Thu Mar 08, 2018 1:15 am
Forum: General forum
Topic: Hyperfinesplitting drawing program
Replies: 10
Views: 4851

Re: Hyperfinesplitting drawing program

Perfect, thanks a lot! :)
by moreutz
Wed Mar 07, 2018 5:08 am
Forum: General forum
Topic: Hyperfinesplitting drawing program
Replies: 10
Views: 4851

Re: Hyperfinesplitting drawing program

This is my input:

Code: Select all

Sys.A = mt2mhz([1.49 1.49]);
Sys.g = 2.005;
Sys.lwpp = [0 0.12];
Sys.Nucs = '14N,1H';
Sys.n= [1 1];

Exp.mwFreq = 9.44;
Exp.nPoints = 4096;
Exp.Range = [331 342]
So I get this diagram:
Aufspaltungsmuster DMPO-OH.jpg
Aufspaltungsmuster DMPO-OH.jpg (30.73 KiB) Viewed 4090 times
Why isn't it correct?
by moreutz
Tue Mar 06, 2018 3:10 am
Forum: General forum
Topic: Hyperfinesplitting drawing program
Replies: 10
Views: 4851

Re: Hyperfinesplitting drawing program

Thank you very much!
Unfortunately I have an natural isoptope mixture (Sys.Nucs = 'N,H')..
by moreutz
Thu Mar 01, 2018 3:28 am
Forum: General forum
Topic: Hyperfinesplitting drawing program
Replies: 10
Views: 4851

Hyperfinesplitting drawing program

Hello,

I would like to draw diefferent splitting schemes like in the picture (
Splitting scheme DMPO.PNG
Splitting scheme DMPO.PNG (26.96 KiB) Viewed 4166 times
).
Does anyone know a program to create them?

Best regards
moreutz
by moreutz
Mon Feb 26, 2018 8:42 am
Forum: General forum
Topic: Different intensities between experimental spectrum and simu
Replies: 1
Views: 1078

Different intensities between experimental spectrum and simu

Hello, I have fitted three different radicals to an experimental spectrum. It fits quite good, but by exporting the spectra the intenisites between the experimental spectrum and the fitted spectrum vary widely. The simulated spectrum has an intensity range from -1 to 1. How can I generate a spectrum...
by moreutz
Fri Jan 19, 2018 3:09 am
Forum: General forum
Topic: gerneral questions
Replies: 1
Views: 1086

gerneral questions

Hello, I'm completely new with this topic. So please forgive me my simple questions. I want to simulate different radicals with DMPO (spin trap). Which nucs in the molecule are important? And how could I detrmine the g-values and the hfc for this nucs? For example, DMPO-OH has a g-value of 2,0052 an...
by moreutz
Tue Jan 16, 2018 9:03 am
Forum: Bugs
Topic: Problem with importing ORCA data
Replies: 4
Views: 4778

Re: Problem with importing ORCA data

I have a similar probelm. Did you find a slution?