MALDIquant (version 0.3)

MassSpectrum-class: Class "MassSpectrum"

Description

MassSpectrum represents a single spectrum of a MALDI/TOF mass spectrometry measurement. It provide an easy framework for doing some preprocessing steps like peak detection, baseline correction and something like that.

Objects from the Class

createMassSpectrum: Creates a MassSpectrum object.

Extends

Class AbstractMassSpectrumData, directly.

References

See website: http://strimmerlab.org/software/maldiquant/

See Also

createMassSpectrum, detectPeaks,MassSpectrum-method, estimateBaseline,MassSpectrum-method, estimateNoise,MassSpectrum-method, findLocalMaxima,MassSpectrum-method, removeBaseline,MassSpectrum-method, AbstractMassSpectrumData

Examples

## load library
library("MALDIquant");

## create a MassSpectrum object by default constructor
s <- createMassSpectrum(mass=1:100, intensity=rnorm(100)^2,
    metaData=list(name="unrealistic example"));

## show some details
s;

## plot spectrum
plot(s);

## modify intensity and metaData
intensity(s)[1:50] <- 0;
metaData(s) <- list(name="modified example");

## plot again
plot(s);