writeMSData | R Documentation |
writeMSData
exports the MS spectrum data provided with
parameters header
and data
to an MS file in mzML or
mzXML format.
## S4 method for signature 'list,character' writeMSData(object, file, header, backend = "pwiz", outformat = "mzml", rtime_seconds = TRUE, software_processing)
object |
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file |
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header |
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backend |
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outformat |
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rtime_seconds |
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software_processing |
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Johannes Rainer
copyWriteMSData
for a function to copy general
information from a MS data file and writing eventually modified MS
data from that originating file.
## Open a MS file and read the spectrum and header information library(msdata) fl <- system.file("threonine", "threonine_i2_e35_pH_tree.mzXML", package = "msdata") ms_fl <- openMSfile(fl, backend = "pwiz") ## Get the spectra pks <- spectra(ms_fl) ## Get the header hdr <- header(ms_fl) ## Modify the spectrum data adding 100 to each intensity. pks <- lapply(pks, function(z) { z[, 2] <- z[, 2] + 100 z }) ## Write the data to a mzML file. out_file <- tempfile() writeMSData(object = pks, file = out_file, header = hdr)
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