Institute for Advanced Biosciences Keio University
MathDAMP Mathematica package for differential analysis of metabolite profiles
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MathDAMP > Examples > MathDAMP source > Assemblies of Core Functions for Common Tasks > Overlaid chromatograms/electropherograms for candidate differences

Overlaid chromatograms/electropherograms for candidate differences

For the confirmation of signals (and rejection of false positives) from plots highlighting differences between selected datasets overlaid chromatograms/electropherograms may be plotted. Normalized original datasets along with a dataset representing the differences between them (result dataset) are passed to the function DAMPPlotCandidates and overlaid chromatograms/electropherograms of the most significant differences are generated. To find the most significant differences, the result dataset is searched for a highest absolute signal intensity value. This datapoint, along with its neighborhood (of specified size in the retention/migration time dimension) is set to 0 and the search for additional significant differences continues iteratively.

Options[DAMPPlotCandidates] = {Global`PlotCount12, Global`TimeRangeAll, Glob ... 4; {-.6, .6}, Global`DropVicinity.2, Global`PlotChromatogramOptions {}} 

DAMPPlotCandidates[datamsdatas_, critmsdata_, opts___] := Module[{plotcount, timerange, plot ... ; , {Global`PlotCount/.{opts}/.Options[DAMPPlotCandidates]}] ; resplots]