Added possibility to exlclude peak, plus a range at end of the spectrum. Updated the documentation. Bug fixes.

beamtime/nappBackground.m

@@ -31,15 +31,30 @@ function DataTable = nappBackground(DataTable,varargin)
 %       one of the following variables: 'spectrum_counts', 
 %       'spectrum_countsPerSecond', or 'spectrum_countsNorm'.
 %
-%   energyStart         numeric scalar or vector
-%       Lower bound(s) of energy range for background calculation.
-%       Scalar: single energy range.
-%       Vector [E1, E2]: two disjoint ranges [E1, E2] to [end] and [E2, E1].
-%       Note: For binding energy scale, comparison direction reverses.
+%   energyStart — Start energies for excluded ranges
+%       Numeric scalar or vector.
+%       Defines the lower bound(s) of the data range(s) excluded from
+%       background fitting.
+%
+%   energyEnd — End energies for excluded ranges
+%       Numeric scalar or vector.
+%       Defines the upper bound(s) of the data range(s) excluded from
+%       background fitting.
+%
+%       If energyStart and energyEnd are scalars, the range between
+%       energyStart and energyEnd is excluded from the fit (for example,
+%       to exclude the main peak).
+%
+%       If energyStart is a two-element vector, the range from the first
+%       data point to the second value of energyStart is additionally
+%       excluded.
+%       If energyEnd is a two-element vector, the range from the second
+%       value of energyEnd to the end of the dataset is additionally
+%       excluded.
+%
+%       Specify vector values as comma-separated entries in brackets,
+%       for example [395, 407].
 %
-%   energyEnd           numeric scalar or vector
-%       Upper bound(s) of energy range for background calculation.
-%       See energyStart for vector behavior.
 %
 %   NAME-VALUE PAIR ARGUMENTS (optional)
 %   ------------------------------------
@@ -89,11 +104,6 @@ function DataTable = nappBackground(DataTable,varargin)
 %   NOTES
 %   -----
 %   - Empty or missing spectra in tableVariable will trigger an error.
-%   - For 'mean' mode with binding energy, energy comparisons use <= operator
-%     (reversed compared to kinetic energy mode).
-%   - Exponential fits ('exp2' type) are computed via nonlinear least squares
-%     excluding points outside the specified energy range.
-%   - Generated log entries are identical for all rows in tableSelection.
 %
 %   SEE ALSO
 %   --------
@@ -167,8 +177,8 @@ for ii = 1:size(p.Results.DataTable(p.Results.tableSelection,:),1)
 
         if ~startsWith(p.Results.mode,'mean')
             [xData, yData] = prepareCurveData(p.Results.DataTable(p.Results.tableSelection,:).scientaEkin_eV{ii},p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii});
-
             excludedPoints = excludedata( xData, yData, 'domain',[p.Results.energyStart(1) p.Results.energyEnd(1)] );
+            
             if size(p.Results.energyStart,2) ==2 && size(p.Results.energyEnd,2) ==1
                 excludedPointsEins = excludedPoints;
                 clearvars excludedPoints
@@ -180,6 +190,12 @@ for ii = 1:size(p.Results.DataTable(p.Results.tableSelection,:),1)
                 excludedPointsZwei = excludedata( xData, yData, 'domain',[xData(1) p.Results.energyStart(2)] );
                 excludedPointsDrei = excludedata( xData, yData, 'domain',[p.Results.energyEnd(2) xData(end)] );
                 excludedPoints = excludedPointsEins & excludedPointsZwei & excludedPointsDrei;
+            elseif size(p.Results.energyStart,2) ==1 && size(p.Results.energyEnd,2) ==2
+                excludedPointsEins = excludedPoints;
+                clearvars excludedPoints
+                excludedPointsZwei = excludedata( xData, yData, 'domain',[p.Results.energyEnd(2) xData(end)] );
+                excludedPoints = excludedPointsEins & excludedPointsZwei;
+      
             end
 
             opts = fitoptions( 'Method', 'NonlinearLeastSquares','Exclude', ~excludedPoints );

beamtime/nappCombineSpectra.m

@@ -13,7 +13,9 @@ function combinedSpectrum = nappCombineSpectra(DataTable,varargin)
 %     energy axis and combined spectrum plus metadata. Critically, this allows
 %     all existing nappXXX functions to operate directly on the combined result
 %     without conversion. Output table is named '<originalName>_combined.h5'
-%     where originalName is from the first selected row's name field.
+%     where originalName is from the first selected row's name field. The
+%     mean of pass energy, sample temperature, ice temperature, pressure
+%     are added to the output. 
 %
 %   SYNTAX
 %   ------