View source: R/convertMsp2Spectra.R
Convert msp data frame into object of class [Spectra()]
msp is a data frame of a .msp file, a typical data file for MS/MS libraries. The data frame has two columns and contains in the first column the entries "NAME:", "PRECURSORMZ:" (or "EXACTMASS:"), "RETENTIONTIME:", Num Peaks:" and information on fragments and peak areas/intensities and will extract the respective information in the second column.
convertMsp2Spectra returns an object of class 'Spectra'
Thomas Naake, email@example.com
data("convertMsp2Spectra", package = "MetCirc") convertMsp2Spectra(msp = msp2spectra)
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