esiprot: ESIprot: an universal tool for charge state determination and...
In SandraSy/bitbucket.org-sgibb-rmsi: Mass Spectrometry Imaging

Description Usage Arguments Author(s) References Examples

ESIprot: an universal tool for charge state determination and molecular weight calculation of proteins from electrospray ionization mass spectrometry data calculate.

1 2	## S4 method for signature 'numeric' esiprot(x, zrange = c(1, 100), hydrogen = 1.00794)

`x`	`double` consecutive peaks
`zrange`	`double`, charge state range `c(min charge, max charge)`
`hydrogen`	`double`, hydrogen mass

Original python implementation by Robert Winkler.

R implementation by Sebastian Gibb mail@sebastiangibb.de

R. Winkler. 2010. ESIprot: a universal tool for charge state determination and molecular weight calculation of proteins from electrospray ionization mass spectrometry data. Rapid Communications in Mass Spectrometry 24(3): 285-294

library("rmsi")

cytochromc <- c(651.6, 687.7, 728.1, 773.5, 825.0, 883.9, 951.7,
                1030.9, 1124.5)
esiprot(cytochromc)

p <- createMassPeaks(mass=cytochromc, intensity=rep(1, length(cytochromc)))

esiprot(p)