View source: R/rc.export.msp.rc.R
rc.export.msp.rc | R Documentation |
Cluster annotation function: inference of 'M' - molecular weight of the compound giving rise to each spectrum - using the InterpretMSSpectrum::findMain function
rc.export.msp.rc(ramclustObj = NULL, one.file = TRUE, mzdec = 1)
ramclustObj |
ramclustR object to annotate. |
one.file |
logical, should all msp spectra be written to one file? If false, each spectrum is an individual file. |
mzdec |
integer. Number of decimal points to export mass values with. |
exports files to a directory called 'spectra'. If one.file = FALSE, a new directory 'spectra/msp' is created to hold the individual msp files. if do.findman has been run, spectra are written as ms2 spectra, else as ms1.
nothing, just exports files to the working directory
Corey Broeckling
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