Description Usage Arguments Details Value Author(s) References See Also Examples
The algorithm makes use of a fuzzy logic approach to match the segment of interest to the corresponding reference
1 | matchSegments(refSp, intSp, intSegments, refSegments, MAX_DIST_FACTOR, MIN_RC)
|
refSp |
spectrum of reference |
intSp |
spetcrum of interest (test spectrum) |
intSegments |
segments of spectrum of interest |
refSegments |
segments of reference spectrum |
MAX_DIST_FACTOR |
the distance matching parameter (0.5*peak_width) |
MIN_RC |
minimum resamblance coefficient |
Algorithm:
take segment of interest
take reference segments
calculate relative distance between them
calculate relative resamblance between them
find min value of relative distance and resamblance
use it as representative of similiarity between target and reference segments
find the segment that has the highest value of both relative distance and resamblance
A list:
testSegs |
matched test segments |
refSegs |
matched reference segments |
Lyamine Hedjazi
Veselkov,K. et al (2009) Recursive Segment-Wise Peak Alignment of Biological 1H NMR Spectra for Improved Metabolic Biomarker Recovery, Anal. Chem., 81(1), 56-66.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 | ## Not run:
# Data
Sp=matrix(rnorm(10*13454,mean=0,sd=1), nrow=10,ncol=13454)
##Segmentation parameters
peakParam=list()
peakParam$ppmDist <- 0.03# (ppm) # distance to concatenate adjacent peaks #default 0.03#
peakParam$ampThr <- 0.3 # amplitude value to threshold small peaks #
peakParam$minPeakWidth <- 0.005 #min peak width in ppm scale
peakParam$iFrameLen<-11 #Savitzky-Golay frame length in ppm scale
peakParam$iOrder<-3 #polynomial order of Savitzky - Golay filter
peakParam$peakEdgeMax<-0.2
##reference spectrum selection
step=0.02 # Recursion step (default 0.02)
index<-selectRefSp(Sp,step)
refSp<-Sp[index,]
#segmentate a reference spectrum
refSegments<- segmentateSp(refSp, peakParam) # segmentate reference spectrum
#segmentate a test spectrum
spectrum<-Sp[10,]
testSegments<- segmentateSp(spectrum, peakParam) # segmentate test spectrum (10th sample)
#attach test and reference segments
attachedSegs<-attachSegments(refSegments,testSegments)
##Matching parameters
MAX_DIST_FACTOR<-0.5 # The distance matching parameter (0.5*peak_width)
MIN_RC<-0.25 # Minimum resamblance coefficient
refSegments<-attachedSegs$refSegmentsNew
testSegments<-attachedSegs$testSegmentsNew
Segs<-matchSegments(refSp,spectrum, testSegments,refSegments,MAX_DIST_FACTOR, MIN_RC)
## End(Not run)
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