specDist.meanMZmatch: a Distance function based on matching peaks
Description
This method calculates the distance of two sets of peaks.Usage
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
Methods
- peakTable1 = "matrix", peakTable2 = "matrix"
-
specDist.meanMZmatch(peakTable1, peakTable2,
matchdist=1, matchrate=1,
mzabs=0.001, mzppm=10, symmetric=TRUE)
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.