lschank7/tr-epr-simulation
lschank7/tr-epr-simulation
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Added warning for Triplett population fit boundary < 0

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sakul-45 2021-08-02 18:52:22 +02:00
parent cc1f3ab4f6
commit 8645de60d6
1 changed files with 11 additions and 5 deletions
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16
simulation_TREPR.m
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@ -329,14 +329,20 @@ uiwait(fig)
%get previous simulation parameters (manual or saved) %get previous simulation parameters (manual or saved)
Sys0 = eventdata.simSys; Sys0 = eventdata.simSys;
Exp0 = eventdata.simExp; Exp0 = eventdata.simExp;
%check if Temperature can run into negative
for nT = 1:3
if Sys0.Temperature(nT) - Vary.Temperature(nT) < 0
warndlg('Triplett population boundary < 0!','Warning');
end
end
%perform fit %perform fit
[BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp0,[],FitOpt); [BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp0,[],FitOpt);
plot(ax,0.1*params.Field_Vector,params.max_mean,'r',... plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2) 0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2);
xlabel 'Magnetic Field / mT' xlabel(ax,'Magnetic Field / mT');
ylabel 'EPR signal / A. U.' ylabel(ax,'EPR signal / A. U.');
legend('experimental','simulation') legend(ax,'experimental','simulation');
axis tight axis(ax,'tight');
%normalize Triplett population %normalize Triplett population
Tsum = sum(BestSys.Temperature); Tsum = sum(BestSys.Temperature);
BestSys.Temperature = BestSys.Temperature ./ Tsum; BestSys.Temperature = BestSys.Temperature ./ Tsum;