Search found 245 matches
- Sat May 21, 2016 11:10 pm
- Forum: General forum
- Topic: Fitting of magnetic susceptibility data
- Replies: 31
- Views: 18205
Re: Fitting of magnetic susceptibility data
Your definition of your data ('%f %f') is two floating-point columns with one space between them. However, you actual data have three spaces. Maybe first try correcting that. As for zJ, you could easily calculate it by doing the relevant algebra on your calculated curve (e.g. BestSpc) once the calcu...
- Thu May 19, 2016 3:56 am
- Forum: General forum
- Topic: Fitting of magnetic susceptibility data
- Replies: 31
- Views: 18205
Re: Fitting of magnetic susceptibility data
And just a final (I think) question:
From what I understand, at the moment curry cannot calculate multi-component systems like pepper can (e.g. an antiferromagnetic system and its paramagnetic impurity).
Is there a way to do so, or is that planned for a next version?
From what I understand, at the moment curry cannot calculate multi-component systems like pepper can (e.g. an antiferromagnetic system and its paramagnetic impurity).
Is there a way to do so, or is that planned for a next version?
- Fri Apr 22, 2016 3:12 pm
- Forum: General forum
- Topic: Custom simulation function: fit single-crystal rotation
- Replies: 2
- Views: 2700
Custom simulation function: fit single-crystal rotation
I am trying to better understand how to create custom simulation functions to invoke with esfit. So far, I have understood that we can use custom functions to tie together parameters defined in Sys (e.g. J couplings, or hyperfine couplings) and to fit experimental parameters defined in Exp, such as ...
- Fri Apr 22, 2016 2:44 pm
- Forum: General forum
- Topic: Fitting of magnetic susceptibility data
- Replies: 31
- Views: 18205
Re: Fitting of magnetic susceptibility data
OK, got it: I needed to invoke my custom function with FitOpt.OutArg = [2 2]; so that I would still get chi, and then in my custom function do a bit of flip-flopping the y array to multiply it with T and then bring it back to its [1 x n] form: function [x,y] = constrainJg_isosceles_xT(Sys1,Exp,Opt);...
- Thu Apr 21, 2016 10:24 am
- Forum: General forum
- Topic: Error while exporting data
- Replies: 4
- Views: 2842
Re: Error while exporting data
I have only used it in an either/or scenario (graphical output / ascii file), but I don't know if that's the only way.
- Thu Apr 21, 2016 8:53 am
- Forum: General forum
- Topic: Error while exporting data
- Replies: 4
- Views: 2842
Re: Error while exporting data
Maybe try:
Does that work?
Code: Select all
[fitparams,spc] = esfit('pepper',spc,Sys,Vary,Exp);
- Sat Apr 16, 2016 3:56 pm
- Forum: General forum
- Topic: Fitting of magnetic susceptibility data
- Replies: 31
- Views: 18205
Re: Fitting of magnetic susceptibility data
Thanks for the suggestion. I have tried some variations of your suggestion and I get different errors (I always invoke my function with FitOpt.OutArg = [2 1]; ) 1. My first try is function [x,y] = constrainJg_isosceles_xT(Sys1,Exp,Opt); fullSys = etc... T = 0; [x,y] = curry(fullSys,Exp,Opt); x = x.*...
- Fri Apr 15, 2016 1:21 am
- Forum: Bugs
- Topic: Issue with levelsplot with Matlab R2016a
- Replies: 3
- Views: 4018
Re: Issue with levelsplot with Matlab R2016a
Thanks for pointing this out!
Using:
and invoking levelsplot as
did the trick.
The different behaviour between the two Matlab versions gave me the false impression it was a bug.
Using:
Code: Select all
Par.nPoints = 10000;
Code: Select all
levelsplot(Sys1,Ori,FieldRange,Freq,Par);
The different behaviour between the two Matlab versions gave me the false impression it was a bug.
- Thu Apr 14, 2016 10:50 pm
- Forum: General forum
- Topic: Fitting of magnetic susceptibility data
- Replies: 31
- Views: 18205
Re: Fitting of magnetic susceptibility data
Assuming I have correctly understood how to do that, I tried changing the custom function to: function [x,y] = constrainJg_isosceles_xT(Sys1,Exp,Opt); fullSys = Sys1; fullSys.g = [Sys1.g]; fullSys.ee = [Sys1.Ja Sys1.Ja Sys1.Jb]; chiSI = 0; T = 0; chiSIT = chiSI.*T; x = chiSIT; [x,y] = curry(fullSys,...
- Wed Apr 13, 2016 2:23 am
- Forum: Bugs
- Topic: Issue with levelsplot with Matlab R2016a
- Replies: 3
- Views: 4018
Issue with levelsplot with Matlab R2016a
When using levelsplot with ES 5.0.20 I get two different behaviours depending on the version of Matlab I use, for the same piece of code: I invoke levelsplot in a rather straightforward manner: I previously define my Sys structure and the experimental details (among which the orientation cori and fr...