Search found 188 matches
- Thu May 19, 2016 2:47 am
- Forum: General forum
- Topic: Chemical exchange- how to?
- Replies: 7
- Views: 4424
Re: Chemical exchange- how to?
I have made some minor changes in the code. Now general methods (1 and 2) seems to be working with separate lw for each site and arbitrary population. May I publish the code for testing in the corresponding topic?
- Wed May 18, 2016 1:57 am
- Forum: General forum
- Topic: Chemical exchange- how to?
- Replies: 7
- Views: 4424
Re: Chemical exchange- how to?
Thanks a lot for amazing program. I have some questions about it. 1. Sys.xc parameter is not described enough. I propose that it defines the order of the nuclei in the second and futher sites. Is it right? 2. It is not completely clear how to define exchange rate contants. For example, for two-site ...
- Wed May 11, 2016 12:44 am
- Forum: General forum
- Topic: Chemical exchange- how to?
- Replies: 7
- Views: 4424
Chemical exchange- how to?
It seems that EasySpin can simulate cw spectra with chemical exchange broadening (J. Phys. Chem. A, 2013, 117 (7), pp 1439–1448 DOI: 10.1021/jp3104358). Unfortunately, there are no any documentation about this feature. Is it possible to provide some examples for this topic?
- Wed Dec 23, 2015 1:01 am
- Forum: General forum
- Topic: Vanadium 51 Trouble: PLEASE HELP!!
- Replies: 4
- Views: 3701
Re: Vanadium 51 Trouble: PLEASE HELP!!
Try this script:
Sys.S = 1/2;
Sys.g = [1.9875 1.9835 1.9510];
Sys.lwpp = .5;
Sys.Nucs = '51V';
Sys.A = [175 180 505];
Exp.Harmonic = 1
Exp.mwFreg = 9.78;
Exp.Range = [260 440];
Exp.nPoints = 2048;
pepper(Sys,Exp);
Sys.S = 1/2;
Sys.g = [1.9875 1.9835 1.9510];
Sys.lwpp = .5;
Sys.Nucs = '51V';
Sys.A = [175 180 505];
Exp.Harmonic = 1
Exp.mwFreg = 9.78;
Exp.Range = [260 440];
Exp.nPoints = 2048;
pepper(Sys,Exp);
- Tue Dec 22, 2015 11:54 pm
- Forum: Bugs
- Topic: How does FitOpt.Plot option works?
- Replies: 4
- Views: 5107
Re: How does FitOpt.Plot option works?
I think, it should be better to keep such feature for clarity.
- Tue Dec 22, 2015 11:48 pm
- Forum: Bugs
- Topic: Dimensions of return values from eprload and esfit
- Replies: 2
- Views: 4047
Re: Dimensions of return values from eprload and esfit
Thanks. I used reshape function to override this inconvenience.
- Tue Dec 22, 2015 1:46 am
- Forum: Bugs
- Topic: How does FitOpt.Plot option works?
- Replies: 4
- Views: 5107
How does FitOpt.Plot option works?
I try to run esfit function with FitOpt.Plot=1 in this manner:
....
FitOpt.Plot=1;
[bestfit,bestspc] = esfit('garlic',y,Sys,Vary,Exp,[],FitOpt);
....
But there are no graphics appear. What I'm doing wrong?
....
FitOpt.Plot=1;
[bestfit,bestspc] = esfit('garlic',y,Sys,Vary,Exp,[],FitOpt);
....
But there are no graphics appear. What I'm doing wrong?
- Tue Dec 22, 2015 1:08 am
- Forum: Bugs
- Topic: Dimensions of return values from eprload and esfit
- Replies: 2
- Views: 4047
Dimensions of return values from eprload and esfit
The function eprload returns x and y values in different dimensions. The x values return as <1 x nPoints double> whereas y ones return as <nPoints x 1 double>. Moreover, esfit returns y values as <1 x nPoints double>, it makes certain inconvenience.