Institute for Advanced Biosciences Keio University
MathDAMP Mathematica package for differential analysis of metabolite profiles
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MathDAMP > Examples > 06-MathDAMP-MultipleGroups > Optional Section

Optional : Exploring the data, locating the peak of the internal standard in the reference dataset

For a preliminary exploration, the loaded data may be visualized on density plots. The dimensions of the signal intensity matrix of the datasets are too large to grant at least one computer screen pixel per datapoint. Some signals may not be therefore visible on the density plot. For a high resolution view, please export the density plot to a postscript format or replot a larger version. The Export function may be used for saving the plot in a postscript format or the plot may be selected and the selection saved as EPS via the Edit menu entry. The postscript files may subsequently be converted to pdf format using tools as ghostscript for example.
Because of significant differences between the dimensions of datasets acquired by quadrupole and time-of-flight mass spectrometers, different default appearance of the density plots is desirable for CE-TOFMS data (sparser tickmarks and gridlines along the m/z axis, plot dimensions, etc.). The DAMPCETOFMSDensityPlotOptions variable groups the options which modify the appearance of the density plot for CE-TOFMS data.

DAMPDensityPlot[data〚1〛, MaxScale10000, Sequence @@ DAMPCETOFMSDensityPlotOptions] ;


If the location of the peak of the internal standard will be specified explicitly, it is necessary to locate it in the reference dataset (dataset to which the remaining datasets will be aligned and normalized).

DAMPPlotChromatogram[{data〚1〛}, 182, PlotOptions {PlotRange {{13, 16}, All}}] ;