MALDIquant (version 0.2)

SingleSpectrum-class: Class "SingleSpectrum"

Description

SingleSpectrum represents a single spectrum of a MALDI/TOF mass spectrometry measurement. It should provide an easy framework for doing some preprocessing steps like peak detection, baseline correction and something like that. Up to now only import and plot of a SingleSpectrum object is supported.

Objects from the Class

createSingleSpectrum: Creates a SingleSpectrum object.

importSingleSpectrum: Reads a single mass spectrum from file and creates a SingleSpectrum object.

Extends

Class AbstractSpectrumData, directly.

References

See website: http://www.sebastiangibb.de/maldiquant

See Also

createSingleSpectrum, importSingleSpectrum, removeBaseline,SingleSpectrum-method, AbstractSpectrumData

Examples

## load library
library("MALDIquant");

## create a SingleSpectrum object by default constructor
s <- createSingleSpectrum(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);