score_fun.distMatrix {xcms}R Documentation

Scoring for MS/MS spectra

Description

A similarity scoring function for MS/MS spectra against a reference via a distance matrix.

Usage

  score_fun.distMatrix(ref, exp, ppmfrag)

Arguments

ref An array of numbers for the refference
exp An array of numbers for the test
ppmfrag A numerical string for the amount of error in

Details

A simple scoring function to score two arrays of numbers and give a percentage match between the two. Uses a a distance and similarity matrix score system. When the two scores are calculated the percentage score is calculated from the theoritical maximum score and the theoritical minimum score.

Value

score Percentage score between the two arrays

Author(s)

H. Paul Benton, hpbenton@scripps.edu

References

H. Paul Benton, D.M. Wong, S.A.Strauger, G. Siuzdak "XCMS^2:" Analytical Chemistry 2008 DOI:http://pubs.acs.org/doi/abs/10.1021/ac800795f/

See Also

score_fun.cor

Examples

## Not run: 
score<-xcms:::score_fun.distMatrix(rnorm(10), rnorm(10), 20)
score

a<-abs(rnorm(5))
a[2]<-xcms:::ppmDev(a[2], 30)
score<-xmcs:::score_fun.distMatrix()
score
## End(Not run)

[Package xcms version 1.16.3 Index]