msp2FunctionalLossesMSP {MetCirc} | R Documentation |
msp2FunctionalLossesMSP
converts a MSP
-object
(with fragments) into a MSP
-object with neutral losses
msp2FunctionalLossesMSP(msp)
msp |
|
The function msp2FunctionalLosses
can be used when calculating
the similarity based on neutral losses instead of fragments.
msp2FunctionalLossesMSP
returns a MSP-object
(with neutral losses)
Thomas Naake, thomasnaake@googlemail.com
data("sd02_deconvoluted", package = "MetCirc") finalMSP <- convert2MSP(sd02_deconvoluted, split = " _ ", splitIndMZ = 2, splitIndRT = NULL) finalMSPNL <- msp2FunctionalLossesMSP(msp = finalMSP)