lschank7/tr-epr-simulation
lschank7/tr-epr-simulation
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Implemented "thyme" fitting function

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sakul-45 2021-07-14 13:49:55 +02:00
parent b53f7f3044
commit 821ed661a4
1 changed files with 34 additions and 7 deletions
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35
simulation_TREPR.m
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@ -1,4 +1,4 @@
function [params] = simulation_TREPR(Exp,Sys,params)
function [params] = simulation_TREPR(Exp,Sys0,params)
%SIMULATION_TREPR Summary of this function goes here
%
% Detailed explanation goes here
@ -19,10 +19,12 @@ ax = axes(plotpanel);
ax.XLabel.String = 'magnetic field';
ax.YLabel.String = 'Intensity';
%plot manual simulation
[bfield,spec] = pepper(Sys,Exp);
[bfield,spec] = pepper(Sys0,Exp);
spec_norm = spec/max(spec); % normalize the simulation
plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
bfield,spec_norm,'b','LineWidth',1.2)
xlabel 'Magnetic Field / mT'
ylabel 'EPR signal / A. U.'
legend('experimental','simulation')
axis tight
@ -284,8 +286,34 @@ uicontrol(InpTx); %passes focus to first input
uiwait(fig)
%% Callback functions
function SimStartButtonPushed(src,event)
function BestSys = SimStartButtonPushed(src,event)
%get Vary and Opt from Input
varT1 = str2double(get(InpTx,'String'));
varT2 = str2double(get(InpTy,'String'));
varT3 = str2double(get(InpTz,'String'));
Vary.Temperature = [varT1 varT2 varT3];
varD = str2double(get(InpD,'String'));
varE = str2double(get(InpE,'String'));
Vary.D = [varD varE];
varGauss = str2double(get(InpGauss,'String'));
varLor = str2double(get(InpLor,'String'));
Vary.lw = [varGauss varLor];
Vary.g = str2double(get(InpG,'String'));
FitOpt.Method = get(InpMeth,'String');
FitOpt.Scaling = get(InpScal,'String');
%perform fit
Sys0.Temperature = [0 0 0];
[BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp,[],FitOpt);
plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2)
xlabel 'Magnetic Field / mT'
ylabel 'EPR signal / A. U.'
legend('experimental','simulation')
axis tight
end
function SimSaveButtonPushed(src,event)
% Sys = BestSys;
end
function SimDoneButtonPushed(src,event)
@ -293,4 +321,3 @@ uiwait(fig)
end
end