Institute for Advanced Biosciences Keio University
MathDAMP Mathematica package for differential analysis of metabolite profiles
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MathDAMP > Examples > MathDAMP source > Core Functionality > Dataset normalization

Dataset normalization

Datasets are normalized by multiplying all the signal intensities by a normalization coefficient. The coefficient value may come from some external source (e.g. from sample weights) or from integrating the peaks of internal standard in the datasets.
A simple integration was implemented (used for the peaks of internal standards only). No peak detection is performed. The area below a linearly interpolated part of interest of a  chromatogram/electropherogram is calculated. The part of interest is specified as a time range. Optionally, the baseline may be calculated as an average of signal intensities from a time range where no peaks are expected. Please note that both the peak integration and baseline estimation is blind in the case of the DAMPIntegrate function. Therefore, the chromatograms of integrated peaks as well as the integration results are displayed for visual inspection during automated differential analysis located in the Assemblies of Core Functions for Common Tasks section.

Options[DAMPNormalize] = {Global`SampleNameSuffix"n"} 

DAMPNormalize[msdata_, coef_, opts___] := Module[{}, DAMPApplyFunctionToSingle[msdat ... 14;3〛, #〚4〛} &), Join[opts, Options[DAMPNormalize]]] ] 

Options[DAMPIntegrate] := {Global`TimeRange {0, ∞}, Global`BaselineFromTimeRangeNone} 

DAMPIntegrate[chrom_, opts___] := Module[{bsln, bslnfrotr, timerange}, bsln = 0 ; &# ... 2314;1〛≤#〚1〛≤timerange〚2〛&], 2, 1]) ]