Convert MSP to MSP with functional losses

Description

msp2FunctionalLossesMSP converts a MSP-object (with fragments) into a MSP-object with neutral losses

Usage

msp2FunctionalLossesMSP(msp)

Arguments

Details

The function msp2FunctionalLosses can be used when calculating the similarity based on neutral losses instead of fragments.

Value

msp2FunctionalLossesMSP returns a MSP-object (with neutral losses)

Author(s)

Thomas Naake, thomasnaake@googlemail.com

Examples

data("sd02_deconvoluted", package = "MetCirc")
finalMSP <- convert2MSP(sd02_deconvoluted, split = " _ ", 
                     splitIndMZ = 2, splitIndRT = NULL)
finalMSPNL <- msp2FunctionalLossesMSP(msp = finalMSP)