Refactor energy calibration pipeline, introduce modern arguments blocks, and add universal logging

* Transitioned nappNorm, nappDetermineShift, and nappCopyShift to use modern MATLAB arguments blocks, removing their legacy functionSignatures.json entries.

* Refactored nappNorm to rely on prior peak fitting results (e.g., from nappFitGaussXps) for normalization rather than performing the fitting internally.

* Decoupled energy calibration: nappDetermineShift now solely calculates internal binding energy shifts, and nappCopyShift distributes them using a unified matching engine ('earlier', 'after', 'spectrumNumber').

* Implemented a Universal Logging Block to track data provenance, automatically appending execution timestamps and caller script names to processed rows.

* Updated nappCombineSpectra to output a logDataSource cell array and cleanly name combined spectra.

* Created nappSaveDataTable for automatic, script-named .mat file saving, complete with a Live Editor interceptor.

* Added a publish-mode silencer to nappFitGaussXps to prevent optimizer spam in generated PDFs.

* Updated readme.md to document the new arguments structure, the 3-step calibration workflow, the matching engine, and the new table variables.

beamtime/documentedExampleScripts/SopNappDuringBeamtimeAnalysis.m

@@ -3,6 +3,7 @@
 %[text] [https://gitea.psi.ch/5505/functionsMatlab/src/branch/main/beamtime](https://gitea.psi.ch/5505/functionsMatlab/src/branch/main/beamtime)
 %[text] and
 %[text] [https://gitea.psi.ch/5505/functionsMatlab/src/branch/main/beamtime/documentedExampleScripts](https://gitea.psi.ch/5505/functionsMatlab/src/branch/main/beamtime/documentedExampleScripts)
+%%
 %[text] ## Load Data
 %[text] Import raw beamtime data into the Matlab workspace for analysis. Data is organized in a single *matlab data table* where XPS intensities from region iterations are averaged and normalized to counts per second (CPS). This ensures comparison regardless of dwell time or region iteration settings.
 %[text] There are several options to import. The preferred way is to write a importData.m script to call the  import function and to add notes to data. Once imported, data is saved to a FileList.mat file, which should be updated regularly to ensure the MATLAB works with the most recent data. 
@@ -16,6 +17,15 @@ FileList = outerjoinRowToTable(FileList,tmpData.FileList);
 clearvars tmp*
 
 %%
+%[text] ## Align sample
+%[text] - Approach and take spectra too far away, too close, in working distance.
+%[text] - At least note dwell time and pass energy and area reading for a few distances
+%[text] - also note x,y,z \
+%[text] ## Reference spectra
+%[text] 1. sample prior to dosing.
+%[text] 2. sample prior to adding dosing carrier gas.
+%[text] 3. gas-phase with all settings used for sample.
+%[text] 4. cold and warm sample holder without sample (if contamination is an issue). \
 %[text] ## Survey: Characterize sample
 %[text] Survey spectra are used to characterize new samples and to monitor samples over time. They should show all expected elements and no unexpected ones, and are typically recorded at key times (before/after experiments, when dosing changes, at regular intervals).
 %[text] **If unexpected peaks appear**
@@ -134,8 +144,8 @@ tmpDataSelection =  month(FileList.lastModifiedDatenum) == 11 ...
 % List the selected files in the command window.
 disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:2f867eb6]
 % plot
-nappPlot(FileList,tmpDataSelection,'tableVariable','image','mode','iterations','plotStep',2); %[output:30898c2d]
-legend 
+nappPlot(FileList,tmpDataSelection,'tableVariable','image','mode','iterations','plotStep',2); %[output:30898c2d] %[output:0b22a369]
+legend  %[output:0b22a369]
 %%
 %[text] ### Plot shifting images
 %[text] The two O1s images MgO ice in Ar HONO, 21-Aug-2021 and MgO ice AA in N2, 25-Oct-2021 illustrate the difference between unusable and usable data.
@@ -147,7 +157,7 @@ tmpDataSelection = matches(FileList.name,'0067067_O1s_1000eV.ibw');
 % List the selected files in the command window.
 disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:27ab5aa8]
 % plot
-nappPlot(FileList,tmpDataSelection);
+nappPlot(FileList,tmpDataSelection); %[output:3f52d2f2] %[output:2edd5c8e]
 %[text] 
 %%
 %[text] #### Remove a single iteration from image
@@ -158,11 +168,11 @@ tmpDataSelection = month(FileList.lastModifiedDatenum) == 10 ...
 % List the selected files in the command window.
 disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:9949b5fb]
 % plot
-nappPlot(FileList,tmpDataSelection);
+nappPlot(FileList,tmpDataSelection); %[output:0ab749aa]
 % remove iteration #9
 FileList(tmpDataSelection,:).image{:}(:,9)=[];
 % plot again
-nappPlot(FileList,tmpDataSelection,'tableVariable','image');
+nappPlot(FileList,tmpDataSelection,'tableVariable','image'); %[output:26c3d5db]
 %%
 %[text] ## Binding energy scale
 %[text] To compare spectra taken at different photon energies or to present your data, convert kinetic energy to binding energy using three steps:
@@ -205,10 +215,10 @@ tmpDataSelection =  matches(FileList.sample,'Ice with N2')...
     & (day(FileList.lastModifiedDatenum) >= 27);
 FileList = nappBindingEnergyXps(FileList,'tableSelection',tmpDataSelection);
 % plot C1s spectra
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond',...
-    'mode','AllInOne','energyScale','kinetic');
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond',...
-    'mode','AllInOne','energyScale','binding');
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond',... %[output:group:1b93bfe3] %[output:6c799ef9]
+    'mode','AllInOne','energyScale','kinetic'); %[output:group:1b93bfe3] %[output:6c799ef9]
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond',... %[output:group:01cb9662] %[output:644d063f]
+    'mode','AllInOne','energyScale','binding'); %[output:group:01cb9662] %[output:644d063f]
 %[text] ## Normalize spectra
 %[text] Normalization is done to get an estimate of surface concentration and to identify changes in intensity driven by chemical or physical processes from experimental variations, such as changes in working distance. 
 %%
@@ -239,10 +249,10 @@ tmpDataSelection =  (month(FileList.lastModifiedDatenum) == 2) ...
 disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:1cf215b8]
 %%
 % fit
-FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:67ea982a] %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2]
-    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2]
-    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:67ea982a] %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2]
-xlim([360, 366]);
+FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:67ea982a] %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2] %[output:7541066b]
+    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2] %[output:7541066b]
+    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:67ea982a] %[output:22c700e4] %[output:3b9a689c] %[output:712f3db2] %[output:7541066b]
+xlim([360, 366]); %[output:7541066b]
 %%
 
 % filter
@@ -251,25 +261,25 @@ tmpDataSelection =  (month(FileList.lastModifiedDatenum) == 2) ...
     & (day(FileList.lastModifiedDatenum) >= 27) ...
     & matches(FileList.name,"0056056_O1s_900eV.ibw");
 % show data
-disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:8f9f23b4]
+disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:969d4f09]
 % fit
-FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:1a1bf894] %[output:969d4f09] %[output:608e038f] %[output:598292bc]
-    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:969d4f09] %[output:608e038f] %[output:598292bc]
-    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:1a1bf894] %[output:969d4f09] %[output:608e038f] %[output:598292bc]
-xlim([360, 366]);
+FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:1a1bf894] %[output:880f99d8] %[output:608e038f] %[output:598292bc] %[output:342429e8]
+    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:880f99d8] %[output:608e038f] %[output:598292bc] %[output:342429e8]
+    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:1a1bf894] %[output:880f99d8] %[output:608e038f] %[output:598292bc] %[output:342429e8]
+xlim([360, 366]); %[output:342429e8]
 % select
 tmpDataSelection =  (month(FileList.lastModifiedDatenum) == 2) ...
     & (year(FileList.lastModifiedDatenum) == 2022) ...
     & (day(FileList.lastModifiedDatenum) >= 27) ...
     & matches(FileList.name,"0060060_O1s_900eV.ibw");
 % List the selected files in the command window.
-disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:0ab41352]
+disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','scientaPassEnergy_eV'})) %[output:326c5622]
 %%
 % fit
-FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:9c54ed73] %[output:326c5622] %[output:5bd5684a] %[output:42116ac3]
-    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:326c5622] %[output:5bd5684a] %[output:42116ac3]
-    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:9c54ed73] %[output:326c5622] %[output:5bd5684a] %[output:42116ac3]
-xlim([360, 366]);
+FileList = nappFitGaussXps(FileList,tmpFitParameters,tmpDataSelection,... %[output:group:9c54ed73] %[output:7f2dd5ee] %[output:5bd5684a] %[output:42116ac3] %[output:31491535]
+    'tableVariable','spectrum_countsPerSecond','energyScale','kinetic',... %[output:7f2dd5ee] %[output:5bd5684a] %[output:42116ac3] %[output:31491535]
+    'mode','unconstrained','backgroundMode','linear','showFigures','on'); %[output:group:9c54ed73] %[output:7f2dd5ee] %[output:5bd5684a] %[output:42116ac3] %[output:31491535]
+xlim([360, 366]); %[output:31491535]
 %%
 %[text] ### Norm the spectra
 %[text] The example table lists the three C1s spectra ( 0035035\_C1s\_900eV.ibw ,  0056056\_C1s\_900eV.ibw ,  0060060\_C1s\_900eV.ibw ) and their plots. After scaling, you can compare the C1s spectra directly, since the intensities now reflect a concentration (carbon relative to ice).
@@ -282,14 +292,14 @@ tmpDataSelection =  matches(FileList.sample,'Ice with N2')...
     & (year(FileList.lastModifiedDatenum) == 2022) ...
     & (day(FileList.lastModifiedDatenum) >= 27);
 % show data
-disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','sample'})) %[output:0e8d0cec]
-disp(FileList(tmpDataSelection,{'name','sampleTemp_dC','cellPressure_mbar'})) %[output:65618880]
+disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','sample'})) %[output:65618880]
+disp(FileList(tmpDataSelection,{'name','sampleTemp_dC','cellPressure_mbar'})) %[output:9c77f960]
 % scale
 FileList = nappScale(FileList,tmpDataSelection,'regionOld','C1s','regionNew','O1s'); % C1s with O1s area
 % plot scaled data
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsNorm');
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsNorm'); %[output:43e6e41e]
 % plot original data
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond');
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond'); %[output:8d96736e]
 
 % filter the data O1s
 tmpDataSelection =  matches(FileList.sample,'Ice with N2')...
@@ -300,15 +310,15 @@ tmpDataSelection =  matches(FileList.sample,'Ice with N2')...
     & (year(FileList.lastModifiedDatenum) == 2022) ...
     & (day(FileList.lastModifiedDatenum) >= 27);
 % show data
-disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','sample'})) %[output:9c77f960]
-disp(FileList(tmpDataSelection,{'name','sampleTemp_dC','cellPressure_mbar'})) %[output:506ce9c9]
+disp(FileList(tmpDataSelection,{'name','lastModifiedDatestr','sample'})) %[output:506ce9c9]
+disp(FileList(tmpDataSelection,{'name','sampleTemp_dC','cellPressure_mbar'})) %[output:5432d349]
 % scale
 FileList = nappScale(FileList,tmpDataSelection,'regionOld','O1s','regionNew','O1s'); % O1s with O1s area
 
 % plot scaled data
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsNorm');
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsNorm'); %[output:15414432]
 % plot original data
-nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond');
+nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond'); %[output:93ebe7fc]
 %%
 %[text] ## Calculate surface coverage
 %[text] Ensure that the dosing yields a surface coverage that is low enough to address your science question, but high enough to provide spectra with sufficient intensity for reliable fitting and interpretation (remember, you can always measure longer to improve signal‑to‑noise).
@@ -327,86 +337,128 @@ nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond');
 %   data: {"dataType":"text","outputData":{"text":"                <strong>name<\/strong>                  <strong>lastModifiedDatestr<\/strong>                    <strong>sample<\/strong>             \n    <strong>____________________________<\/strong>    <strong>________________________<\/strong>    <strong>________________________________<\/strong>\n\n    {'0128128_Survey_850eV.ibw'}    {'28-Nov-2025 14:08:31'}    {'this is a sample description'}\n\n","truncated":false}}
 %---
 %[output:04fdda4a]
-%   data: 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truncated
 %---
 %[output:3f09c9f5]
 %   data: {"dataType":"text","outputData":{"text":"               <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>__________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0146146_Al2p_850eV.ibw'}    {'29-Nov-2025 15:25:25'}             50         \n    {'0146146_Ar2p_850eV.ibw'}    {'29-Nov-2025 15:25:25'}             50         \n    {'0146146_C1s_850eV.ibw' }    {'29-Nov-2025 15:25:25'}             50         \n    {'0146146_Cl2p_850eV.ibw'}    {'29-Nov-2025 15:25:25'}             50         \n    {'0146146_O1s_850eV.ibw' }    {'29-Nov-2025 15:25:25'}             50         \n\n","truncated":false}}
 %---
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 %   data: {"dataType":"text","outputData":{"text":"               <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>__________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0146146_Al2p_850eV.ibw'}    {'29-Nov-2025 15:25:25'}             50         \n\n","truncated":false}}
 %---
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truncated
+%---
 %[output:1cf215b8]
 %   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    {'27-Feb-2022 19:46:48'}             50         \n\n","truncated":false}}
 %---
 %[output:22c700e4]
-%   data: {"dataType":"text","outputData":{"text":"Fitting row 1685 of DataTable...\nValidating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"Validating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
 %---
 %[output:3b9a689c]
 %   data: {"dataType":"warning","outputData":{"text":"Warning: Data sizes do not match. Converting all data to column vectors."}}
 %---
 %[output:712f3db2]
-%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\nAll 37 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                             <strong>peakPosition<\/strong>                                                <strong>peakArea<\/strong>                                                    <strong>peakFWHM<\/strong>                   \n    <strong>_________________________<\/strong>    <strong>_________________________________________<\/strong>    <strong>__________________________________________________________________<\/strong>    <strong>______________________________________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    363.6      NaN      NaN      NaN      NaN    5.8028e+05           NaN           NaN           NaN           NaN    1.9598       NaN       NaN       NaN       NaN\n\n              <strong>name<\/strong>                 <strong>peakBackground<\/strong>  \n    <strong>_________________________<\/strong>    <strong>__________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    -34.061      17280\n\n              <strong>name<\/strong>               <strong>peakEta<\/strong>\n    <strong>_________________________<\/strong>    <strong>_______<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}      NaN  \n\n              <strong>name<\/strong>               <strong>peakShirleyK<\/strong>\n    <strong>_________________________<\/strong>    <strong>____________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}        NaN     \n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\n29 out of 30 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                             <strong>peakPosition<\/strong>               \n    <strong>_________________________<\/strong>    <strong>_________________________________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    363.6      NaN      NaN      NaN      NaN\n\n              <strong>name<\/strong>                                            <strong>peakArea<\/strong>                             \n    <strong>_________________________<\/strong>    <strong>__________________________________________________________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    5.8028e+05           NaN           NaN           NaN           NaN\n\n              <strong>name<\/strong>                                  <strong>peakFWHM<\/strong>                   \n    <strong>_________________________<\/strong>    <strong>______________________________________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    1.9598       NaN       NaN       NaN       NaN\n\n              <strong>name<\/strong>                 <strong>peakBackground<\/strong>  \n    <strong>_________________________<\/strong>    <strong>__________________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    -34.088      17290\n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
 %---
-%[output:8f9f23b4]
-%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    {'28-Feb-2022 12:15:48'}             50         \n\n","truncated":false}}
+%[output:7541066b]
+%   data: 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truncated
 %---
 %[output:969d4f09]
-%   data: {"dataType":"text","outputData":{"text":"Fitting row 1750 of DataTable...\nValidating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    {'28-Feb-2022 12:15:48'}             50         \n\n","truncated":false}}
+%---
+%[output:880f99d8]
+%   data: {"dataType":"text","outputData":{"text":"Validating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
 %---
 %[output:608e038f]
 %   data: {"dataType":"warning","outputData":{"text":"Warning: Data sizes do not match. Converting all data to column vectors."}}
 %---
 %[output:598292bc]
-%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\nAll 21 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                             <strong>peakPosition<\/strong>                                                <strong>peakArea<\/strong>                                                    <strong>peakFWHM<\/strong>                   \n    <strong>_________________________<\/strong>    <strong>_________________________________________<\/strong>    <strong>__________________________________________________________________<\/strong>    <strong>______________________________________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    363.2      NaN      NaN      NaN      NaN    2.6848e+05           NaN           NaN           NaN           NaN    2.1012       NaN       NaN       NaN       NaN\n\n              <strong>name<\/strong>                <strong>peakBackground<\/strong> \n    <strong>_________________________<\/strong>    <strong>________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    54.159    -15426\n\n              <strong>name<\/strong>               <strong>peakEta<\/strong>\n    <strong>_________________________<\/strong>    <strong>_______<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}      NaN  \n\n              <strong>name<\/strong>               <strong>peakShirleyK<\/strong>\n    <strong>_________________________<\/strong>    <strong>____________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}        NaN     \n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\nAll 18 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                             <strong>peakPosition<\/strong>               \n    <strong>_________________________<\/strong>    <strong>_________________________________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    363.2      NaN      NaN      NaN      NaN\n\n              <strong>name<\/strong>                                            <strong>peakArea<\/strong>                             \n    <strong>_________________________<\/strong>    <strong>__________________________________________________________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    2.6848e+05           NaN           NaN           NaN           NaN\n\n              <strong>name<\/strong>                                  <strong>peakFWHM<\/strong>                   \n    <strong>_________________________<\/strong>    <strong>______________________________________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    2.1012       NaN       NaN       NaN       NaN\n\n              <strong>name<\/strong>                <strong>peakBackground<\/strong> \n    <strong>_________________________<\/strong>    <strong>________________<\/strong>\n\n    {'0056056_O1s_900eV.ibw'}    54.186    -15436\n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
 %---
-%[output:0ab41352]
-%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    {'28-Feb-2022 12:47:15'}             50         \n\n","truncated":false}}
+%[output:342429e8]
+%   data: 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truncated
 %---
 %[output:326c5622]
-%   data: {"dataType":"text","outputData":{"text":"Fitting row 1756 of DataTable...\nValidating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>       <strong>scientaPassEnergy_eV<\/strong>\n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>____________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    {'28-Feb-2022 12:47:15'}             50         \n\n","truncated":false}}
+%---
+%[output:7f2dd5ee]
+%   data: {"dataType":"text","outputData":{"text":"Validating FitParameter structure...\n  Number of peaks detected: 1\n  Checking core parameters (required for all modes)...\n  Checking mode-specific parameters for mode 'unconstrained'...\n  Checking background model parameters for 'linear'...\n✓ FitParameter validation successful for 1 peak(s) in 'unconstrained' mode with 'linear' background.\n\n","truncated":false}}
 %---
 %[output:5bd5684a]
 %   data: {"dataType":"warning","outputData":{"text":"Warning: Data sizes do not match. Converting all data to column vectors."}}
 %---
 %[output:42116ac3]
-%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\n40 out of 41 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                                <strong>peakPosition<\/strong>                                                  <strong>peakArea<\/strong>                                                 <strong>peakFWHM<\/strong>                 \n    <strong>_________________________<\/strong>    <strong>______________________________________________<\/strong>    <strong>__________________________________________________________________<\/strong>    <strong>_________________________________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    363.34       NaN       NaN       NaN       NaN    2.6879e+05           NaN           NaN           NaN           NaN    2.119      NaN      NaN      NaN      NaN\n\n              <strong>name<\/strong>                <strong>peakBackground<\/strong> \n    <strong>_________________________<\/strong>    <strong>________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    201.93    -68421\n\n              <strong>name<\/strong>               <strong>peakEta<\/strong>\n    <strong>_________________________<\/strong>    <strong>_______<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}      NaN  \n\n              <strong>name<\/strong>               <strong>peakShirleyK<\/strong>\n    <strong>_________________________<\/strong>    <strong>____________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}        NaN     \n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"\nGlobalSearch stopped because it analyzed all the trial points.\n\nAll 28 local solver runs converged with a positive local solver exit flag.\n              <strong>name<\/strong>                                <strong>peakPosition<\/strong>                 \n    <strong>_________________________<\/strong>    <strong>______________________________________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    363.34       NaN       NaN       NaN       NaN\n\n              <strong>name<\/strong>                                            <strong>peakArea<\/strong>                             \n    <strong>_________________________<\/strong>    <strong>__________________________________________________________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    2.6879e+05           NaN           NaN           NaN           NaN\n\n              <strong>name<\/strong>                               <strong>peakFWHM<\/strong>                 \n    <strong>_________________________<\/strong>    <strong>_________________________________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    2.119      NaN      NaN      NaN      NaN\n\n              <strong>name<\/strong>                <strong>peakBackground<\/strong> \n    <strong>_________________________<\/strong>    <strong>________________<\/strong>\n\n    {'0060060_O1s_900eV.ibw'}    201.94    -68423\n\nFound 1 valid peaks (non-NaN)\n","truncated":false}}
 %---
-%[output:0e8d0cec]
-%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>           <strong>sample<\/strong>     \n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>_______________<\/strong>\n\n    {'0035035_C1s_900eV.ibw'}    {'27-Feb-2022 19:46:48'}    {'Ice with N2'}\n    {'0056056_C1s_900eV.ibw'}    {'28-Feb-2022 12:15:48'}    {'Ice with N2'}\n    {'0060060_C1s_900eV.ibw'}    {'28-Feb-2022 12:47:15'}    {'Ice with N2'}\n\n","truncated":false}}
+%[output:31491535]
+%   data: 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 %---
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-%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>                 <strong>lastModifiedDatestr<\/strong>           <strong>sample<\/strong>     \n    <strong>_________________________<\/strong>    <strong>________________________<\/strong>    <strong>_______________<\/strong>\n\n    {'0035035_O1s_900eV.ibw'}    {'27-Feb-2022 19:46:48'}    {'Ice with N2'}\n    {'0056056_O1s_900eV.ibw'}    {'28-Feb-2022 12:15:48'}    {'Ice with N2'}\n    {'0060060_O1s_900eV.ibw'}    {'28-Feb-2022 12:47:15'}    {'Ice with N2'}\n\n","truncated":false}}
+%   data: {"dataType":"text","outputData":{"text":"              <strong>name<\/strong>               <strong>sampleTemp_dC<\/strong>    <strong>cellPressure_mbar<\/strong>\n    <strong>_________________________<\/strong>    <strong>_____________<\/strong>    <strong>_________________<\/strong>\n\n    {'0035035_C1s_900eV.ibw'}       -22.031            1.4358      \n    {'0056056_C1s_900eV.ibw'}       -39.039            1.4357      \n    {'0060060_C1s_900eV.ibw'}       -39.003            1.4216      \n\n","truncated":false}}
+%---
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+%---
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truncated
+%---
+%[output:93ebe7fc]
+%   data: 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truncated
+%---

beamtime/documentedExampleScripts/generateSpectra.m

@@ -275,7 +275,7 @@ for ii = 1
         & contains(FileList.name,"Cl2p") ...
         & (contains(FileList.name,"146") | contains(FileList.name,"148"));
     FileList = nappBackground(FileList,647,648,'tableSelection',tmpDataSelection,'energyScale','kinetic',...
-        'mode','mean','showFigures','off');
+        'mode','mean','showFigures','on');
 
     %% Plot again
     nappPlot(FileList,tmpDataSelection,'tableVariable','spectrum_countsPerSecond','mode','AllInOne');

beamtime/documentedExampleScripts/test.m

@@ -0,0 +1,22 @@
+%% Start fresh
+close all
+clearvars
+clc
+
+%% Import Data
+FileList = nappFileList('2026/testImport','mode','local','importLabView','off');
+%% Display Data
+disp(FileList(:,{'name','creationDate','lastModifiedDatestr','image','originalFileName'}))
+%% Plot images 
+nappPlot(FileList);
+%% Plot iterations
+close all
+nappPlot(FileList,'tableVariable','image','mode','iterations');
+%% Generate spectra and plot
+close all
+FileList  = nappGenerateSpectra(FileList);
+nappPlot(FileList,'tableVariable','spectrum_countsPerSecond','mode','OneEach');
+%% Generate spectra, remove background and plot
+close all
+FileList  = nappGenerateSpectra(FileList);
+nappPlot(FileList,'tableVariable','spectrum_countsPerSecond','mode','OneEach');