annotateBiotransf: Single Biotransformation Annotator
Description
Function annotateBiotransf annotates a spectrum with an already detected Biotransformation.
Usage
annotateBiotransf(biotransf, diffIndex, spectrum, sigPeaksTable,biotransformationsTable)
Arguments
biotransf
The already detected biotransformation using the inBetween function
diffIndex
A numeric pointer to the other peak involved in the biotransformation inside the spectrum.
spectrum
The spectrum to be annotated.
biotransformationsTable
Table of biotransformations either read from the bioTable argument or the default MAIT table.
Value
A vector containg the masses of the peaks involved in the biotransformation, their retention time, their annotation and their indices in the signPeaksTable.