| create.reactionM | R Documentation |
This function matches a mass vector against a user provided database, inside an user provided mass tolerance window.
create.reactionM(DB, molIon, ppm.tol)
DB |
dataframe containing the mandatory fields id, formula and reactions. |
molIon |
list of annotations provided by get.annot function. |
ppm.tol |
parts per million mass tolerance allowed in the mass search. |
A matrix of reactions that each compound candidate, inside the mass window, can participate in the metabolism.