Additional tools for MALDIquant This package is not intended for public release on CRAN.
This package is abandoned. There is no further development and no guarantee that it is still working.
install.packages("devtools")
library("devtools")
install_github("sgibb/MALDIquantTools")
library("MALDIquant")
library("MALDIquantTools")
data(fiedler2009subset)
## select some tumor/control subset
spectra <- fiedler2009subset[9:16]
## run preprocessing
spectra <- transformIntensity(spectra, method="sqrt")
spectra <- smoothIntensity(spectra, method="MovingAverage", halfWindowSize=2)
spectra <- removeBaseline(spectra, method="SNIP")
spectra <- calibrateIntensity(spectra, method="TIC")
peaks <- detectPeaks(spectra)
peaks <- binPeaks(peaks)
## create labels
tumor <- sapply(peaks, function(x)grepl(pattern="tumor", x=metaData(x)$file))
fullName <- sapply(peaks, function(x)metaData(x)$fullName)
rowLabels <- paste(fullName, " (", ifelse(tumor, "T", "C"), ")", sep="")
## run clustering and create dendrogram
iM <- intensityMatrix(peaks, spectra)
d <- dist(iM, method="euclidean")
d <- as.dendrogram(hclust(d, method="complete"), hang=-1)
## plot gelmap
gelmap(iM, rowLabels=rowLabels, dendrogram=d, xlab="mass [Da]")
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