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With this issue I would like to make a request that I belive would be useful for the users of the manualChromPeaks() function :)
It would be great if in the output of this function there would also be a column referring to a sort of chromatographic peak ID (I mean, like it is for the sample).
For example:
## Read a test dataset.fls<- c(system.file("microtofq/MM14.mzML", package="msdata"),
system.file("microtofq/MM8.mzML", package="msdata"))
## Define a data frame with some sample annotationsann<-data.frame(
injection_index=1:2,
sample_id= c("MM14", "MM8"))
## Import the data
library(MsExperiment)
mse<- readMsExperiment(fls)
## Define some arbitrary peak areaspks<- cbind(
mzmin= c(216, 302.9), mzmax= c(216.2, 303.2),
rtmin= c(55, 267), rtmax= c(67, 282)
)
pksmzminmzmaxrtminrtmax
[1,] 216.0216.25567
[2,] 302.9303.2267282res<- manualChromPeaks(mse, pks)
chromPeaks(res)
mzmzminmzmaxrtrtminrtmaxintosamplemaxosnCP1303.0486302.9303.2273.02500267282326965.59180132NACP2216.0923216.0216.258.70598556751420.69214936NA
What I intend to ask is to add an additional column in the output of chromPeaks(res) indicating that the CP1 refers to the second item indicated in pks and that the CP2 refers to the first item indicated in the pks object.
The text was updated successfully, but these errors were encountered:
Hi!
With this issue I would like to make a request that I belive would be useful for the users of the
manualChromPeaks()
function :)It would be great if in the output of this function there would also be a column referring to a sort of chromatographic peak ID (I mean, like it is for the sample).
For example:
What I intend to ask is to add an additional column in the output of
chromPeaks(res)
indicating that the CP1 refers to the second item indicated inpks
and that the CP2 refers to the first item indicated in thepks
object.The text was updated successfully, but these errors were encountered: