segmentateSp {mQTL.NMR} | R Documentation |
Determination of highly intensive peaks in the spectrum of interest and subsequent concatenation of closely located peaks into larger segments
segmentateSp(Sp, peakParam)
Sp |
a vector defining the spectrum |
peakParam |
a list:
|
A list:
testSegmentsNew |
a list specifying the new test segments |
refSegmentsNew |
a list specifying the new 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.
## Data load_datafiles() Sp<-t(read.table(phenofile)) ppm<-as.numeric(colnames(Sp)) ## Normalization normSp<-normalise(abs(Sp),'CS') ##Segmentation and matching parameters setupRSPA(ppm) ##reference spectrum selection attach(normSp) index<-selectRefSp(Sp,recursion$step) refSp<-Sp[index,] ##segmentate a reference spectrum refSegments<- segmentateSp(refSp, peakParam) # segmentate reference spectrum