deisotoper (version 0.0.7)

deisotope: Deisotope a Mass Spectrum

Description

Deisotope a Mass Spectrum

Usage

deisotope(deisotoper, massspectrum, algorithm = "features-based")

Arguments

deisotoper

a deisotoper object.

massspectrum

a list of numeric vectors mZ and intensity where mZ is ordered and mZ and intensity have the same length.

algorithm

the supported deisotope algorithms, default is method="features-based".

References

• Features-Based Deisotoping Method for Tandem Mass Spectra, http://dx.doi.org/10.1155/2011/210805.

See Also

deisotoper

Examples

# NOT RUN {
x <- list(mZ = c(1, 2, 2.5, 3), intensity = rep(1, 4), pepmass=600, charge=2)

xd <- deisotope(dtoper <- deisotoper(), x)
plot.deisotoper(x, xd)
summary(dtoper)

# }