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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