removeDoubleMasses {metaMS} | 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

[Package metaMS version 1.22.0 Index]