function DataTable = nappScale(DataTable,varargin) %nappScale can be used to normalise XPS spectra to the peak area. The peak %of the same region or of a different region with identical SES file %number can be used for XPS data. NEXAFS spectra can be normed to their %area or to the intensity at an energy range of choice. % % FileList = nappScale(FileList,tmpDataSelection,'regionOld','C1s','regionNew','O1s'); % % *input* % FileList: data table % tableSelection (optional): logical array to filter data table. These % spectra will be normalised. % regionOld: C1s (default) or O1s, N1s - region spectra that will be % normalised. Needs to be identical to the table selection (filter). % regionNew: O1s (default) or C1s, N1s - peak area that will be used to normalise % peakNumber: Number of the feature that should be used for fitting % (nappFitGaussXps gives results for 4 features, default is 1) % % The region in tableSelection and regionOld MUST be identical. % % % *output* % table variable spectrum_countsNorm % Define conditions and defaults of input defaultTableVariable = 'spectrum_countsPerSecond'; expectedTableVariable = {'spectrum_counts','spectrum_countsPerSecond','spectrum_countsNorm'}; defaultMode = 'area'; expectedMode = {'intensity','area'}; defaultRegionOld = 'C1s'; expectedRegionOld = {'O1s','C1s','N1s','Cl2p'}; defaultRegionNew = 'O1s'; expectedRegionNew = {'O1s','C1s','N1s'}; defaultPeakNumber = 1; defaultTableSelection = true(size(DataTable,1)); % Parse input p = inputParser; addRequired(p,'DataTable',@istable); addOptional(p,'tableSelection',defaultTableSelection,@islogical); addOptional(p,'energyStart',@isnumeric) addOptional(p,'energyEnd',@isnumeric) addParameter(p,'tableVariable',defaultTableVariable,... @(x) any(validatestring(x,expectedTableVariable))); addParameter(p,'regionOld',defaultRegionOld,... @(x) any(validatestring(x,expectedRegionOld))); addParameter(p,'regionNew',defaultRegionNew,... @(x) any(validatestring(x,expectedRegionNew))); addParameter(p,'peakNumber',defaultPeakNumber); addParameter(p,'mode',defaultMode,... @(x) any(validatestring(x,expectedMode))); parse(p,DataTable,varargin{:}); % add empty variable to table existColumn = strcmp('spectrum_countsNorm',DataTable.Properties.VariableNames); if ~any(existColumn) DataTable.spectrum_countsNorm = cell(size(DataTable,1),1); end existColumn = strcmp('logScaleRange',DataTable.Properties.VariableNames); if ~any(existColumn) DataTable.logBackgroundRange = NaN(size(DataTable,1),2); end existColumn = strcmp('logScaleMode',DataTable.Properties.VariableNames); if ~any(existColumn) DataTable.logBackgroundMode = cellstr(repmat(' ',size(p.Results.DataTable,1),1)); end existColumn = strcmp('logScaleDate',DataTable.Properties.VariableNames); if ~any(existColumn) DataTable.logBackgroundDate = cellstr(repmat(' ',size(p.Results.DataTable,1),1)); end % check input (all elements of input variable need to have non-zero size) if ~all(cell2mat(cellfun(@size,p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable),'UniformOutput',false)),'all') disp('The table variable appears to be empty. I quit now') error('The table variable appears to be empty.') end % repeat this for all columns in input. for ii = 1:size(p.Results.DataTable(p.Results.tableSelection,:),1) if endsWith(p.Results.DataTable(p.Results.tableSelection,:).name{ii},'ibw') % get name and date of input file and replace old region with new % region. This will be the files where the peak area is taken from. tmpName = replace(p.Results.DataTable(p.Results.tableSelection,:).name{ii}, ... p.Results.regionOld,p.Results.regionNew); tmpDate = p.Results.DataTable(p.Results.tableSelection,:).lastModifiedDatenum(ii); % select spectra based on the new names and dates of original file tmpDataSelection = contains(p.Results.DataTable.name,tmpName)... & ismember(year(p.Results.DataTable.lastModifiedDatenum),year(tmpDate))... & ismember(month(p.Results.DataTable.lastModifiedDatenum),month(tmpDate))... & ismember(day(p.Results.DataTable.lastModifiedDatenum),day(tmpDate))... & ismember(hour(p.Results.DataTable.lastModifiedDatenum),hour(tmpDate))... & ismember(minute(p.Results.DataTable.lastModifiedDatenum),minute(tmpDate)); % check peak area existColumn = strcmp('peakArea',DataTable.Properties.VariableNames); if any(existColumn) if isnan(DataTable( tmpDataSelection,:).peakArea(p.Results.peakNumber)) disp('The peak area appears to be empty. I quit now') disp(DataTable( tmpDataSelection,:).name{ii}) error('The peak area appears to be empty.') end else disp('The data table appear to have not peak area column. I quit now') error('No peak area column') end % do the norming if contains(p.Results.mode,'area') DataTable(p.Results.tableSelection,:).spectrum_countsNorm{ii} = ... DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}... ./ DataTable( tmpDataSelection,:).peakArea(p.Results.peakNumber); elseif contains(p.Results.mode,'intensity') disp('Intensity mode not yet programmed for XPS data') end elseif endsWith(p.Results.DataTable(p.Results.tableSelection,:).name{ii},'h5') % if ~exist(p.Results.energyStart) | ~exist(p.Results.energyEnd) % disp('The energy region used for normalisation appears to be empty. I quit now') % error('The energy region used to normalise appears to be empty.') % end if contains(p.Results.mode,'intensity') if p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(1)... < p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(end) % prepare Data [xData, yData] = prepareCurveData(p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}... , p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}); % MEAN b_1 = find(xData >= p.Results.energyStart,1); b_2 = find(xData >= p.Results.energyEnd,1); b_mean = mean(yData(b_1:b_2)); elseif p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(1)... > p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(end) % prepare Data [xData, yData] = prepareCurveData( p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}... , p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}); % MEAN b_1 = find(xData <= p.Results.energyStart,1); b_2 = find(xData <= p.Results.energyEnd,1); b_mean = mean(yData(b_2:b_1)); else disp('Warning: Issue with NEXAFS_col_scaling') end tmp_3(:,1) = p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}... ./b_mean; DataTable(p.Results.tableSelection,:).spectrum_countsNorm{ii} = tmp_3; clearvars tmp_3 elseif contains(p.Results.mode,'area') if p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(1)... < p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(end) % prepare Data [xData, yData] = prepareCurveData( p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}... , p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}); % Area b_1 = find(xData >= p.Results.energyStart,1); b_2 = find(xData >= p.Results.energyEnd,1); b_area = trapz(xData(b_1:b_2),yData(b_1:b_2)); elseif p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(1)... > p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}(end) % prepare Data [xData, yData] = prepareCurveData( p.Results.DataTable(p.Results.tableSelection,:).xRayEkin_eV{ii}... , p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}); % MEAN b_1 = find(xData <= p.Results.energyStart,1); b_2 = find(xData <= p.Results.energyEnd,1); b_area = trapz(xData(b_2:b_1),yData(b_2:b_1)); else disp('Warning: Issue with NEXAFS_col_scaling') end tmp_3(:,1) = p.Results.DataTable(p.Results.tableSelection,:).(p.Results.tableVariable){ii}... ./b_area; DataTable(p.Results.tableSelection,:).spectrum_countsNorm{ii} = tmp_3; clearvars tmp_3 end end end % write log to table DataTable.logScaleMode(p.Results.tableSelection,:) = cellstr(repmat(p.Results.mode,size(p.Results.DataTable(p.Results.tableSelection,:),1),1)); if endsWith(p.Results.DataTable(p.Results.tableSelection,:).name{ii},'h5') DataTable.logScaleRange(p.Results.tableSelection,:) = repmat([p.Results.energyStart p.Results.energyEnd],size(p.Results.DataTable(p.Results.tableSelection,:),1),1); end DataTable.logScaleDate(p.Results.tableSelection,:) = cellstr(repmat(datestr(now),size(p.Results.DataTable(p.Results.tableSelection,:),1),1)); end