annotateBiotransf {MAIT} | R Documentation |
Function annotateBiotransf
annotates a spectrum with an already detected Biotransformation.
annotateBiotransf(biotransf, diffIndex, spectrum, sigPeaksTable,biotransformationsTable)
biotransf |
The already detected biotransformation using the |
diffIndex |
A numeric pointer to the other peak involved in the biotransformation inside the spectrum. |
spectrum |
The spectrum to be annotated. |
sigPeaksTable |
A dataframe obtained from running the |
biotransformationsTable |
Table of biotransformations either read from the bioTable argument or the default MAIT table. |
A vector containg the masses of the peaks involved in the biotransformation, their retention time, their annotation and their indices in the signPeaksTable.
Francesc Fernandez, francesc.fernandez.albert@upc.edu