resetEnv()
# First create NMR bin data, then plot some differential bins.
results<-mrbin(silent=TRUE,setDefault=TRUE,parameters=list(verbose=FALSE,
dimension="1D",binwidth1D=0.01,PCA="No",showSpectrumPreview="No",
signal_to_noise1D=25,noiseThreshold=0.75,useAsNames="Spectrum titles",
NMRfolders=c(
system.file("extdata/1/10/pdata/10",package="mrbin"),
system.file("extdata/2/10/pdata/10",package="mrbin"),
system.file("extdata/3/10/pdata/10",package="mrbin"))
))
metadata<-c(0,0,1)
#Find significant signals
pvalues<-rep(NA,ncol(results$bins))
names(pvalues)<-colnames(results$bins)
for(i in 1:ncol(results$bins)){
model<-stats::lm(intensity~treatment,
data=data.frame(intensity=results$bins[,i],treatment=metadata))
pvalues[i]<-stats::anova(model)$"Pr(>F)"[1]
}
significantBins<-names(sort(pvalues)[1:30])
metaboliteIdentities=matrix(c(1.346,1.324,21,23,
4.12,4.1,70.8578,71.653,
3.052,3.043,30.5,33.5,
4.066,4.059,57,59.5,
5.7,6.0,0,150),
ncol=4,byrow=TRUE)
#Annotate the dataset with signal identities
rownames(metaboliteIdentities)=c("Lactate","Lactate","Creatinine","Creatinine","Urea")
results<-annotatemrbin(results,metaboliteIdentities=metaboliteIdentities)
mrheatmap(results=results,
binlist=significantBins,annotate=TRUE,
main="Significant signals")
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