group_by_isotopes_vsplit <-
function(dataA,step.mz.diff=1,mdgnum=-1){
diffmatB<-{}
time_mult_fact<-1
diff_mz_num<-1
t1<-dataA$time
mzdefect<-1000*((dataA$mz-floor(dataA$mz)))
d1<-density(mzdefect,bw="nrd",from=min(mzdefect),to=(0.01+max(mzdefect)))
time_step<-step.mz.diff*1
time_step<-abs(d1$x[1]-d1$x[time_step+1])
t1<-d1$x
gid<-{}
gid<-paste("ISgroup",dim(dataA)[1],sep="")
#time_cor_groups<-sapply(list(myData1=dataA),function(x) #print(x);split(x,cut(mzdefect,breaks=d1$x)))
#time_cor_groups<-sapply(list(myData1=dataA),function(x) split(x,cut(mzdefect,breaks=seq(0,1000,1))))
time_cor_groups<-sapply(list(myData1=dataA),function(x) split(x,cut(mzdefect,breaks=seq(0,1000,time_step))))
#length(time_cor_groups)
diffmatB<-{}
for(gnum in 1:length(time_cor_groups)){
cur_group<-{}
if(length(time_cor_groups[[gnum]])>0){
ISgroup<-paste("ISgroup",mdgnum,gnum,sep="_")
cur_group<-as.data.frame(time_cor_groups[[gnum]])
cur_group<-cbind(ISgroup,cur_group)
if(length(cur_group)>0){
cur_group<-as.data.frame(cur_group)
cur_group<-cur_group[order(cur_group$mz),]
diffmatB<-rbind(diffmatB,cur_group)
#groupnum<-groupnum+1
}
}
}
diffmatB<-as.data.frame(diffmatB)
#table(diffmatB$MDgroup)
cnames<-colnames(diffmatB)
cnames[1]<-"ISGroup"
colnames(diffmatB)<-cnames
return(diffmatB) #$MDgroup)
}
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