removeDoubleMasses

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

spclist


  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.


manip

MS-based metabolomics data processing and compound
annotation pipeline.

Ron Wehrens

metaMS

MS-based metabolomics annotation pipeline

removeDoubleMasses function

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.

removeDoubleMasses: Remove double m/z entries in a pseudospectrum

Description

Usage

Arguments

Value