nontarget (version 1.9)

plotcomp: Plot and print isotope and adduct relations among peaks of a single component

Description

Plot and print isotope and adduct relations among peaks of a single component. Also lists all other peaks of the data set within tolerance ranges of m/z and retention time (RT).

Usage

plotcomp(comp, compoID, peakID = FALSE)

Arguments

comp

List of type comp produced by function combine.

compoID

ID of component to be plotted. For description of component IDs see combine, note section. Use with argument peakID=FALSE.

peakID

ID of a peak in a component; selects the component containing the peak with this ID. For description of peak IDs see note section. Use with argument compoID=FALSE.

Details

The upper plot panel provides a circular plot of peak relations, with m/z increasing clockwise starting from noon. Herein, peaks are represented by their peak IDs; numbers in brackets give decreasing peak intensity ranks over all peaks in the shown component. Adduct relations are symbolized by red lines and isotope relations by blue arrows. Thin instead of thick lines stand for interfering peaks. In addition, all relations, other peaks within range and homologue series information are printed as value of plotcomp

The lower panel barplot shows intensities vs. m/z of both the peaks in the component (bold) and the peaks within tolerance ranges of m/z and RT (grey), defined by arguments mztol and rttol of pattern.search and adduct.search.

See Also

combine