/// <summary>
/// Plots all preprocessed spectra into a newly created graph.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
public static void PlotPredictionScores(Altaxo.Data.DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
return;
}
if (plsMemo.PreferredNumberOfFactors <= 0)
{
QuestPreferredNumberOfFactors(plsMemo);
}
GetAnalysis(table).CalculateAndStorePredictionScores(table, plsMemo.PreferredNumberOfFactors);
AscendingIntegerCollection sel = new AscendingIntegerCollection();
for (int i = 0; i < plsMemo.NumberOfConcentrationData; i++)
{
string name = WorksheetAnalysis.GetPredictionScore_ColumnName(i, plsMemo.PreferredNumberOfFactors);
if (null != table[name])
{
sel.Add(table.DataColumns.GetColumnNumber(table[name]));
}
}
Worksheet.Commands.PlotCommands.PlotLine(table, sel, true, false);
}
private void WriteBasicYData(bool bWriteEndElement)
{
Altaxo.Data.DoubleColumn col = null;
string colname;
_writer.WriteStartElement("YData");
colname = WorksheetAnalysis.GetYMean_ColumnName();
col = _table.DataColumns.TryGetColumn(colname) as Altaxo.Data.DoubleColumn;
if (null == col)
{
NotFound(colname);
}
WriteVector("YMean", col, _numberOfY);
colname = WorksheetAnalysis.GetYScale_ColumnName();
col = _table.DataColumns.TryGetColumn(colname) as Altaxo.Data.DoubleColumn;
if (null == col)
{
NotFound(colname);
}
WriteVector("YScale", col, _numberOfY);
if (bWriteEndElement)
{
_writer.WriteEndElement(); // YData
}
}
/// <summary>
/// Plots the cross PRESS value into a provided layer.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
/// <param name="layer">The layer to plot into.</param>
public static void PlotCrossPRESSValue(Altaxo.Data.DataTable table, XYPlotLayer layer)
{
Altaxo.Data.DataColumn ycol = table[WorksheetAnalysis.GetCrossPRESSValue_ColumnName()];
Altaxo.Data.DataColumn xcol = table[WorksheetAnalysis.GetNumberOfFactors_ColumnName()];
XYColumnPlotData pa = new XYColumnPlotData(xcol, ycol);
G2DPlotStyleCollection ps = new G2DPlotStyleCollection(LineScatterPlotStyleKind.LineAndScatter);
layer.PlotItems.Add(new XYColumnPlotItem(pa, ps));
layer.DefaultXAxisTitleString = "Number of factors";
layer.DefaultYAxisTitleString = "Cross PRESS value";
}
/// <summary>
/// Plots the cross predicted versus actual Y (concentration) into a provided layer.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
/// <param name="layer">The layer to plot into.</param>
/// <param name="whichY">The number of the component (y, concentration etc.) for which to plot the residuals.</param>
/// <param name="numberOfFactors">The number of factors used for calculation of the residuals.</param>
public static void PlotCrossPredictedVersusActualY(Altaxo.Data.DataTable table, XYPlotLayer layer, int whichY, int numberOfFactors)
{
string ypredcolname = WorksheetAnalysis.GetYCrossPredicted_ColumnName(whichY, numberOfFactors);
string yactcolname = WorksheetAnalysis.GetYOriginal_ColumnName(whichY);
if (table[ypredcolname] == null)
{
GetAnalysis(table).CalculateCrossPredictedAndResidual(table, whichY, numberOfFactors, true, false, false);
}
PlotOnlyLabel(layer, table[yactcolname], table[ypredcolname], table[WorksheetAnalysis.GetMeasurementLabel_ColumnName()]);
layer.DefaultXAxisTitleString = string.Format("Y original{0}", whichY);
layer.DefaultYAxisTitleString = string.Format("Y cross predicted{0} (#factors:{1})", whichY, numberOfFactors);
}
/// <summary>
/// Plots the x (spectral) residuals into a provided layer.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
/// <param name="layer">The layer to plot into.</param>
/// <param name="whichY">The number of the component (y, concentration etc.) for which to plot the residuals.</param>
/// <param name="numberOfFactors">The number of factors used for calculation of the residuals.</param>
public static void PlotXResiduals(Altaxo.Data.DataTable table, XYPlotLayer layer, int whichY, int numberOfFactors)
{
string xresidualcolname = WorksheetAnalysis.GetXResidual_ColumnName(whichY, numberOfFactors);
string yactcolname = WorksheetAnalysis.GetYOriginal_ColumnName(whichY);
if (table[xresidualcolname] == null)
{
GetAnalysis(table).CalculateXResidual(table, whichY, numberOfFactors);
}
PlotOnlyLabel(layer, table[yactcolname], table[xresidualcolname], table[WorksheetAnalysis.GetMeasurementLabel_ColumnName()]);
layer.DefaultXAxisTitleString = string.Format("Y original{0}", whichY);
layer.DefaultYAxisTitleString = string.Format("X residual{0} (#factors:{1})", whichY, numberOfFactors);
}
/// <summary>
/// Plots the x (spectral) leverage into a provided layer.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
/// <param name="layer">The layer to plot into.</param>
/// <param name="preferredNumberOfFactors">The number of factors used for leverage calculation.</param>
public static void PlotXLeverage(Altaxo.Data.DataTable table, XYPlotLayer layer, int preferredNumberOfFactors)
{
string xcolname = WorksheetAnalysis.GetMeasurementLabel_ColumnName();
string ycolname = WorksheetAnalysis.GetXLeverage_ColumnName(preferredNumberOfFactors);
if (table[ycolname] == null)
{
GetAnalysis(table).CalculateXLeverage(table, preferredNumberOfFactors);
}
PlotOnlyLabel(layer, table[xcolname], table[ycolname], table[WorksheetAnalysis.GetMeasurementLabel_ColumnName()]);
layer.DefaultXAxisTitleString = string.Format("Measurement");
layer.DefaultYAxisTitleString = string.Format("Score leverage (#factors:{0})", preferredNumberOfFactors);
}
public static void PLSOnColumns(WorksheetController ctrl)
{
MultivariateAnalysisOptions options;
SpectralPreprocessingOptions preprocessOptions;
if (!QuestPLSAnalysisOptions(out options, out preprocessOptions))
{
return;
}
WorksheetAnalysis analysis = (WorksheetAnalysis)System.Activator.CreateInstance(options.AnalysisMethod);
string err = analysis.ExecuteAnalysis(Current.Project, ctrl.Doc, ctrl.SelectedDataColumns, ctrl.SelectedDataRows, ctrl.SelectedPropertyColumns, false, options, preprocessOptions);
if (null != err)
{
System.Windows.Forms.MessageBox.Show(ctrl.View.TableViewForm, err, "An error occured");
}
}
void WriteBasicXData(bool bWriteEndElement)
{
Altaxo.Data.DoubleColumn col = null;
string colname;
_writer.WriteStartElement("XData");
colname = WorksheetAnalysis.GetXOfX_ColumnName();
col = _table.DataColumns[colname] as Altaxo.Data.DoubleColumn;
if (null == col)
{
NotFound(colname);
}
WriteVector("XOfX", col, _numberOfX);
colname = WorksheetAnalysis.GetXMean_ColumnName();
col = _table.DataColumns[colname] as Altaxo.Data.DoubleColumn;
if (null == col)
{
NotFound(colname);
}
WriteVector("XMean", col, _numberOfX);
colname = WorksheetAnalysis.GetXScale_ColumnName();
col = _table.DataColumns[colname] as Altaxo.Data.DoubleColumn;
if (null == col)
{
NotFound(colname);
}
WriteVector("XScale", col, _numberOfX);
if (bWriteEndElement)
{
_writer.WriteEndElement(); // XData
}
}
