MALDIquant (version 1.12)

MassSpectrum-class: Class "MassSpectrum"

Description

MassSpectrum represents a single spectrum of a MALDI-TOF mass spectrometry measurement. It provides an easy framework for doing some preprocessing steps like peak detection, baseline correction and much more.

Objects from the Class

createMassSpectrum: Creates a MassSpectrum object.

Extends

Class AbstractMassObject, directly.

See Also

createMassSpectrum, calibrateIntensity,MassSpectrum-method, detectPeaks,MassSpectrum-method, estimateBaseline,MassSpectrum-method, estimateNoise,MassSpectrum-method, removeBaseline,MassSpectrum-method, smoothIntensity,MassSpectrum-method, AbstractMassObject

Website: http://strimmerlab.org/software/maldiquant/

Examples

## load package
library("MALDIquant")

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

## show some details
s

## plot spectrum
plot(s)

## get TIC
totalIonCurrent(s)

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

## plot again
plot(s)