Is it possibe showing components during mutli-compon fitting

[weitong]

I am wondering if it is possibe showing every component during fitting.
OR,can users have the option to choose showing any of the multi-components after fitting stopped.

fitting.PNG (102.87 KiB) Viewed 6635 times

[Stefan Stoll]

Unfortunately, this is currently not possible.

[thanasis]

One workaround I have found is to write a very simple custom function which esfit will invoke. All it does is to plot one of the two systems. The selection is done depending their distinguishing characteristics:

Code: Select all

function [x,y] = decompose(Sys,Exp,Opt)

if Sys.g(1,2)>=2.32
[x,y] = pepper(Sys,Exp,Opt);
plot(x,y);

elseif Sys.g(1,2)<2.32
[x,y] = pepper(Sys,Exp,Opt);
end

end

This will plot the contribution of the system with g>=2.3 in a separate Matlab Figure window. Unfortunately, I haven't found a way to export two plots (pasting the same command in both places only returns one output).

However, it is better than nothing...

[Stefan Stoll]

I think you could use figure(234) and subplot to achieve this. Put each of the spectra in a separate subplot.

[thanasis]

I modified the code to:

Code: Select all

function [x,y] = decompose(Sys,Exp,Opt)

if Sys.g(1,2)>=2.32
[x,y] = pepper(Sys,Exp,Opt);
monomer=y' ; save('monomer','monomer','-ascii');
subplot(2,1,1);
plot(x,y)

elseif Sys.g(1,2)<2.32
[x,y] = pepper(Sys,Exp,Opt);
subplot(2,1,2);
plot(x,y)
trimer=y' ; save('trimer','trimer','-ascii');
end

end

and I do get a nice panel with the two plots, but only after the calculation.

I must confess that did not understand the figure(234) command. Is is something like figure(h) as mentioned in Matlab manuals?
I tried to insert a figure command at the beginning of the script, but I got a whole bunch of figures after the end of the calculation.

[thanasis]

Correction:

The previous code worked excellently, giving a panel with the two components changing in real time during the fit, but only when the fit was invoked through the GUI with esfit('decompose',spc,{Sys1,Sys2},{Vary1,Vary2},Exp,[],FitOpt);.

It did not work well when it was invoked so that the output was saved to an ascii, through: [BestSys,BestSpc] = esfit('decompose',spc,{Sys1,Sys2},{Vary1,Vary2},Exp,[],FitOpt);.

Still it is a good progress.

Subcomponents window

Selection_030.png (90.11 KiB) Viewed 5937 times

[Stefan Stoll]

The command figure(234) activates figure no 234, or creates it if not already created. This makes Matlab plot in the same window when called repeatedly. You might need to issue drawnow after the plot commands, to force Matlab to do the plotting. Otherwise, Matlab tries to be smart and plot only at the overall end of the calculation.

[thanasis]

Yes, that did it:

Code: Select all

function [x,y] = decompose(Sys,Exp,Opt)
figure(234)
if Sys.g(1,2)>=2.32
[x,y] = pepper(Sys,Exp,Opt);
monomer=y' ; save('monomer','monomer','-ascii');
subplot(2,1,1)
plot(x,y)
drawnow

elseif Sys.g(1,2)<2.32
[x,y] = pepper(Sys,Exp,Opt);
trimer=y' ; save('trimer','trimer','-ascii');
subplot(2,1,2)
plot(x,y)
drawnow
end

end

Now it works also without the GUI fitting option!