diff --git a/TR_EPR_script.m b/TR_EPR_script.m index 5b813de..f4d8d89 100644 --- a/TR_EPR_script.m +++ b/TR_EPR_script.m @@ -4,11 +4,11 @@ close all %Script for calling the functions of TR-EPR toolbox %path to dataset -% datapath = 'C:\Users\lukas\Nextcloud\Uni\Bachelorarbeit\tr-epr-simulation\example_data.mat'; -% [raw_data,params] = load_matlab(datapath); +datapath = 'C:\Users\lukas\Nextcloud\Uni\Bachelorarbeit\tr-epr-simulation\example_data.mat'; +[raw_data,params] = load_matlab(datapath); -datapath = 'C:\Users\lukas\Nextcloud\Uni\Bachelorarbeit\tr-epr-simulation\pentacene_355nm_481pt.DSC'; -[raw_data,params] = load_bruker(datapath); +% datapath = 'C:\Users\lukas\Nextcloud\Uni\Bachelorarbeit\tr-epr-simulation\pentacene_355nm_481pt.DSC'; +% [raw_data,params] = load_bruker(datapath); [time_corr_data,params] = correct_time_baseline(raw_data,params); diff --git a/average_maximum.m b/average_maximum.m index f6c3606..4779208 100644 --- a/average_maximum.m +++ b/average_maximum.m @@ -25,11 +25,11 @@ plotpanel.Units = 'Normalized'; plotpanel.Position = [.01 .06 .98 .92]; %axes for plot ax = axes(plotpanel); -ax.XLabel.String = 'Time'; -ax.YLabel.String = 'Intensity'; %plot current data in figure with time as x axis plot(ax,dataIN) -axis tight +xlabel(ax,'Time Points'); +ylabel(ax,'EPR Signal / A. U.'); +axis(ax,'tight'); %create push buttons a = uicontrol(fig,'Style','pushbutton'); @@ -91,7 +91,9 @@ uiwait(fig) dataOUT = dataIN / max(maxima_mean); %plotting result with time as x axis plot(ax,dataOUT) - axis tight + xlabel(ax,'Time Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); %writing parameter params.region_of_max = [left_point right_point]; params.max_mean = maxima_mean / max(maxima_mean); @@ -99,7 +101,9 @@ uiwait(fig) function NormResetButtonPushed(~,~) plot(ax,dataIN) - axis tight + xlabel(ax,'Time Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); end function NormDoneButtonPushed(~,~) diff --git a/correct_magnetic_baseline.m b/correct_magnetic_baseline.m index 2debd1f..fddfbe0 100644 --- a/correct_magnetic_baseline.m +++ b/correct_magnetic_baseline.m @@ -26,12 +26,12 @@ plotpanel.Units = 'Normalized'; plotpanel.Position = [.01 .06 .98 .92]; %axes for plot ax = axes(plotpanel); -ax.XLabel.String = 'Magnetic field'; -ax.YLabel.String = 'Intensity'; %plot current data in figure with field as x axis dataIN_transp = dataIN.'; plot(ax,dataIN_transp) -axis tight +xlabel(ax,'Magnetic Field Points'); +ylabel(ax,'EPR Signal / A. U.'); +axis(ax,'tight'); %create push buttons a = uicontrol(fig,'Style','pushbutton'); @@ -102,7 +102,9 @@ uiwait(fig) %plotting result with field as x axis dataOUT_transp = dataOUT.'; plot(ax,dataOUT_transp) - axis tight + xlabel(ax,'Magnetic Field Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); %adjusting parameter params.Field_Sweep = params.Field_Sweep - params.Field_Step*2*field_cut; params.Field_Start = params.Field_Start + params.Field_Step*field_cut; @@ -116,7 +118,9 @@ uiwait(fig) function FieldResetButtonPushed(~,~) plot(ax,dataIN_transp) - axis tight + xlabel(ax,'Magnetic Field Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); end function FieldDoneButtonPushed(~,~) diff --git a/correct_time_baseline.m b/correct_time_baseline.m index eff1935..7832c3c 100644 --- a/correct_time_baseline.m +++ b/correct_time_baseline.m @@ -24,11 +24,11 @@ plotpanel.Units = 'Normalized'; plotpanel.Position = [.01 .06 .98 .92]; %axes for plot ax = axes(plotpanel); -ax.XLabel.String = 'Time'; -ax.YLabel.String = 'Intensity'; %plot current data in figure plot(ax,dataIN) -axis tight +xlabel(ax,'Time Points'); +ylabel(ax,'EPR Signal / A. U.'); +axis(ax,'tight'); %create push buttons a = uicontrol(fig,'Style','pushbutton'); @@ -83,14 +83,18 @@ uiwait(fig) end %plotting result plot(ax,dataOUT) - axis tight + xlabel(ax,'Time Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); %writing parameter params.pretrigger = pretrigger; end function TimeResetButtonPushed(~,~) plot(ax,dataIN) - axis tight + xlabel(ax,'Time Points'); + ylabel(ax,'EPR Signal / A. U.'); + axis(ax,'tight'); end function TimeDoneButtonPushed(~,~) diff --git a/pre_simulation_TREPR.m b/pre_simulation_TREPR.m index 647064e..c430488 100644 --- a/pre_simulation_TREPR.m +++ b/pre_simulation_TREPR.m @@ -27,11 +27,11 @@ plotpanel.Units = 'Normalized'; plotpanel.Position = [.01 .01 .7 .98]; %axes for plot ax = axes(plotpanel); -ax.XLabel.String = 'magnetic field'; -ax.YLabel.String = 'Intensity'; %plot current data in figure with field as x axis plot(ax,0.1*params.Field_Vector,params.max_mean,'r') -axis tight +xlabel(ax,'Magnetic Field / mT'); +ylabel(ax,'EPR Signal / A. U.'); +axis(ax,'tight'); %% create push buttons a = uicontrol(fig,'Style','pushbutton'); @@ -289,8 +289,10 @@ uiwait(fig) %plot result plot(ax,0.1*params.Field_Vector,params.max_mean,'r',... bfield,spec_norm,'b','LineWidth',1.2) - legend('experimental','simulation') - axis tight + xlabel(ax,'Magnetic Field / mT'); + ylabel(ax,'EPR Signal / A. U.'); + legend(ax,'experimental','simulation'); + axis(ax,'tight'); %write manual fit to params params.Manual_Sys = Sys; params.Triplett_pop = Exp.Temperature; diff --git a/simulation_TREPR.m b/simulation_TREPR.m index 963bf4b..0cfd277 100644 --- a/simulation_TREPR.m +++ b/simulation_TREPR.m @@ -24,6 +24,7 @@ eventdata.manExp.CenterSweep = 0.1*[params.Field_Center params.Field_Sweep]; % m eventdata.manExp.Harmonic = 0; % zeroth harmonic eventdata.manExp.Temperature = params.Triplett_pop; eventdata.simSys = params.Manual_Sys; %initialize simulation parameters +eventdata.simSys.Temperature = params.Triplett_pop; eventdata.simExp = eventdata.manExp; eventdata.SaveStat = 0; %counter if save button was pushed @@ -48,7 +49,7 @@ 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.' +ylabel 'EPR Signal / A. U.' legend('experimental','simulation') axis tight @@ -328,15 +329,20 @@ uiwait(fig) %get previous simulation parameters (manual or saved) Sys0 = eventdata.simSys; 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 - Sys0.Temperature = [0 0 0]; [BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp0,[],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 + 0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2); + xlabel(ax,'Magnetic Field / mT'); + ylabel(ax,'EPR Signal / A. U.'); + legend(ax,'experimental','simulation'); + axis(ax,'tight'); %normalize Triplett population Tsum = sum(BestSys.Temperature); BestSys.Temperature = BestSys.Temperature ./ Tsum;