specDist.meanMZmatch-methods: a Distance function based on matching peaks

Description Usage Arguments Details Methods Author(s)

Description

This method calculates the distance of two sets of peaks.

Usage

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specDist.meanMZmatch(peakTable1, peakTable2, matchdist=1, matchrate=1,
                     mzabs=0.001, mzppm=10, symmetric=TRUE)

Arguments

peakTable1

a Matrix containing at least m/z-values, row must be called "mz"

peakTable2

the matrix for the other mz-values

mzabs

maximum absolute deviation for two matching peaks

mzppm

relative deviations in ppm for two matching peaks

symmetric

use symmetric pairwise m/z-matches only, or each match

matchdist

the weight for value one (see details)

matchrate

the weight for value two

Details

The result of the calculation is a weighted sum of two values. Value one is the mean absolute difference of the matching peaks, value two is the relation of matching peaks and non matching peaks. if no distance is calculated (for example because no matching peaks were found) the return-value is NA.

Methods

peakTable1 = "matrix", peakTable2 = "matrix"

specDist.meanMZmatch(peakTable1, peakTable2, matchdist=1, matchrate=1, mzabs=0.001, mzppm=10, symmetric=TRUE)

Author(s)

Joachim Kutzera, jkutzer@ipb-halle.de


yclement/xcms documentation built on April 10, 2020, 12:08 a.m.