extractSpectraData {MSnbase} | R Documentation |
extractSpectraData
extracts the spectra data (m/z and intensity values
including metadata) from MSnExp, OnDiskMSnExp,
Spectrum1, Spectrum2 objects (or list
of such objects) and
returns these as a DataFrame
that can be used to create a
Spectra::Spectra object.This function enables thus
to convert data from the old MSnbase
package to the newer Spectra
package.
extractSpectraData(x)
x |
a |
DataFrame()
with the full spectrum data that can be passed to the
Spectra::Spectra()
function to create a Spectra
object.
Johannes Rainer
## Read an mzML file with MSnbase fl <- system.file("TripleTOF-SWATH", "PestMix1_SWATH.mzML", package = "msdata") data <- filterRt(readMSData(fl, mode = "onDisk"), rt = c(1, 6)) ## Extract the data as a DataFrame res <- extractSpectraData(data) res ## This can be used as an input for the Spectra constructor of the ## Spectra package: ## sps <- Spectra::Spectra(res) ## sps