removeDoubleMasses: Remove double m/z entries in a pseudospectrum
In rwehrens/metaMS: MS-based metabolomics annotation pipeline
removeDoubleMasses R Documentation
Remove double m/z entries in a pseudospectrum
Description
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.
Usage
removeDoubleMasses(spclist)
Arguments
spclist
A list of spectra, each one consisting of a
three-column matrix (mz, I, rt).
Value
The function returns a list of spectra, where all "double" peaks
have been averaged.
Author(s)
Ron Wehrens
rwehrens/metaMS documentation built on Feb. 27, 2023, 5:13 a.m.
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| removeDoubleMasses | R Documentation |
Remove double m/z entries in a pseudospectrum
Description
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.
Usage
removeDoubleMasses(spclist)
Arguments
spclist |
A list of spectra, each one consisting of a three-column matrix (mz, I, rt). |
Value
The function returns a list of spectra, where all "double" peaks have been averaged.
Author(s)
Ron Wehrens
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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