specPeaks {xcms}R Documentation

Identify peaks in a sparse continuum mode spectrum

Description

Given a spectrum, identify and list significant peaks as determined by several criteria.

Usage

specPeaks(spec, sn = 20, mzgap = 0.2)

Arguments

spec matrix with named columns mz and intensity
sn minimum signal to noise ratio
mzgap minimal distance between adjacent peaks, with smaller peaks being excluded

Details

Peaks must meet two criteria to be considered peaks: 1) Their s/n ratio must exceed a certain threshold. 2) They must not be within a given distance of any greater intensity peaks.

Value

A matrix with columns:

mz m/z at maximum peak intensity
intensity maximum intensity of the peak
fwhm full width at half max of the peak

Author(s)

Colin A. Smith, csmith@scripps.edu

See Also

getSpec, specNoise


[Package xcms version 1.10.7 Index]