Visualisation of fitting data

Programs, scripts and GUIs shared by EasySpin users

Visualisation of fitting data

Postby katarkon » Tue May 24, 2016 5:17 am

This small program visualize the results of the fitting by esfit function to make futher processing easier. The program generally works with interactive fitting results although it can be used in other ways.
For installation just copy vis.m file into easyspin working folder. Run your interactive simulation, export the result in Matlab workspace (see esfit user guide for details) and just type 'vis' in Matlab command window. Two additional figures will appear.
You can use the follow code:
Code: Select all
vis - without parameters is the same as vis(fit1,x)
vis(fit1) - just draw exp and sim spectra and type best fit parameters
vis(fit1,xval) - if x values of the experimental spectra given, the field label additionally appears in spectra figure (x values vector appears as a result of eprload function).
vis(fit1,xval,mode) - third parameter defines the field labelling mode. 0 - no labels, 1 - arrow label, 2 - field axis, 3 - both axis and arrow.

If you want to use the function in your own script try such code:
Code: Select all
[x, y, par] = eprload('filename.par');
..... % define fitting parameters here
[fitSys,fitSpec]=esfit('garlic',y,Sys,Vary,Exp,[],FitOpt);
bestfit.expSpec=y;
bestfit.fitSpec=fitSpec;
bestfit.Sys=fitSys;
vis(bestfit,x);

Current beta3 version does not work properly with chemical exchange fitting. Don't hesticate to ask an additional features.
Best regards.
Attachments
vis.zip
(1.52 KiB) Downloaded 119 times
katarkon
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Joined: Mon Jan 12, 2015 4:01 am

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