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bartels-rausch committed 2026-07-03 21:54:47 +02:00
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commit 3ad96b3890
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beamtime/documentedExampleScripts/TestAndDevelopShirley.m
+58 -1
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@@ -140,7 +140,7 @@ tmpFitParameters.backgroundRange = [12 6]; % <- selects fit range aro
% Bounds for background
tmpFitParameters.bkgrd = [0 0];
tmpFitParameters.pbkgrdLowerBound = [0 0];
tmpFitParameters.bkgrdUpperBound = [0 0];
tmpFitParameters.bkgrdUpperBound = [0 0];
FitList = nappFitGaussXps(FitList,tmpFitParameters,tmpDataSelection,...
'tableVariable','spectrum_countsNorm','energyScale','kinetic',...
@@ -283,6 +283,63 @@ tmpFitParameters.backgroundRange = [12 6];
FitList = nappFitGaussXps(FitList,tmpFitParameters,tmpDataSelection,...
'tableVariable','spectrum_counts','energyScale','binding',...
'mode','unconstrained','backgroundMode','linear','showFigures','on');
%% TEST 1.5.3: Split unconstrained binding Gauss linear
% Gaussian + Linear, individual area/width/position per peak
% peak #1 -> Write into FitList
clearvars tmpFitParameters;
clc
tmpFitParameters.peakArea = 1e5;
tmpFitParameters.peakWidth = 1.6;
tmpFitParameters.peakPos = 38;
% Bounds for areas (lower and upper)
tmpFitParameters.peakAreaLowerBound = 0.01;
tmpFitParameters.peakAreaUpperBound = Inf;
% Bounds for widths
tmpFitParameters.peakWidthLowerBound = 0.2;
tmpFitParameters.peakWidthUpperBound = 2.0;
% Bounds for positions
tmpFitParameters.peakPosLowerBound = 37;
tmpFitParameters.peakPosUpperBound = 39;
% fit range
tmpFitParameters.backgroundRange = [1 5];
% fit
FitList = nappFitGaussXps(FitList,tmpFitParameters,tmpDataSelection,...
'tableVariable','spectrum_counts','energyScale','binding',... % <- process binding energy
'mode','unconstrained','backgroundMode','linear','showFigures','on');
% peak #2 -> Write into new list, then copy to FitList
clearvars tmpFitParameters;
clc
tmpFitParameters.peakArea = 1e5;
tmpFitParameters.peakWidth = 1.6;
tmpFitParameters.peakPos = 36;
% Bounds for areas (lower and upper)
tmpFitParameters.peakAreaLowerBound = 0.01;
tmpFitParameters.peakAreaUpperBound = Inf;
% Bounds for widths
tmpFitParameters.peakWidthLowerBound = 0.2;
tmpFitParameters.peakWidthUpperBound = 2.0;
% Bounds for positions
tmpFitParameters.peakPosLowerBound = 35;
tmpFitParameters.peakPosUpperBound = 37;
% fit range
tmpFitParameters.backgroundRange = [5 1];
% fit
FitListTmp = nappFitGaussXps(FitList,tmpFitParameters,tmpDataSelection,...
'tableVariable','spectrum_counts','energyScale','binding',... % <- process binding energy
'mode','unconstrained','backgroundMode','linear','showFigures','on');
% merge fit results
disp(FitList(tmpDataSelection,{'name','peakPosition'}))
disp(FitListTmp(tmpDataSelection,{'name','peakPosition'}))
FitList(tmpDataSelection,:).peakPosition(2) = FitListTmp(tmpDataSelection,:).peakPosition(1);
FitList(tmpDataSelection,:).peakArea(2) = FitListTmp(tmpDataSelection,:).peakArea(1);
FitList(tmpDataSelection,:).peakFWHM(2) = FitListTmp(tmpDataSelection,:).peakFWHM(1);
clearvars FitListTmp
disp(FitList(tmpDataSelection,{'name','peakPosition'}))
%% TEST 1.6: Unconstrained binding PV linear
% Pseudo-Voigt + Linear, individual area/width/eta/position per peak