combineMolIonR Documentation

combineMolIon

Description

This function combines ion annotations in different acquisition modes. It operates in two main modes, combining individual annotations given by get.annot function, using the retention time and mass/charge windows provided by the user or extracting annotations from a peak table provided by CAMERA's combinexsAnnos function.

Usage

  combineMolIon(antPOS, antNEG, peaklist = NULL,
    cameraobj = NULL, polarity = NULL, rtwin = 5,
    mzwin = 0.05)

Arguments

antPOS

positive annotation list given by get.annot.

antNEG

negative annotation list given by get.annot.

peaklist

given by CAMERA's combinexsAnnos function. If this option is chosen the user has to set the acquisition mode to the same as in CAMERA's function, and provide the respective object for downstream analysis.

cameraobj

xsAnnotate object for downstream analysis.

polarity

the same CAMERA's function acquisition mode.

rtwin

retention time window to annotate a peak as present in both acquisition modes.

mzwin

mass to charge ratio window to annotate a peak as present in both acquisition modes.

Value

a list with a matrix of possible molecular ions with a trace of their annotation and the respective xsAnnotate object.