removeDoubleMasses: Remove double m/z entries in a pseudospectrum

Description Usage Arguments Value Author(s)

View source: R/matchfuns.R


Since in nominal-mass GC data m/z values are rounded to whole numbers, in some cases an m/z value may occur multiple times - in that case the mean of the intensities is kept (and the retention times are averaged). removeDoubleMasses takes a list of spectra in the form of a three-column matrix, (mz, I, rt), summing the intensities and averaging the retention times for multiple identical masses. Not meant to be called directly by the user.





A list of spectra, each one consisting of a three-column matrix (mz, I, rt).


The function returns a list of spectra, where all "double" peaks have been averaged.


Ron Wehrens

metaMS documentation built on May 20, 2017, 9:55 p.m.

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