MZindexing: Mass-charge indexing

In flajole/MSdata: Mass-spectrometry data analysis package

Description

Perform mass-charge correction in MSdata-class object. Function takes a given list of internal standards, corresponding peaks are found in data set and basing on their M/Z shift the shifts for the rest of peaks are calculated. The resulting data set is realigned.

It's better to perform MZ indexing after RTindexing.

Usage

## S4 method for signature 'MSdata'
MZindexing(object, targets.list, mz.window = 0.02,
  rt.window = 3)

Arguments

object	MSdata-class object. For correct processing there should be "RT" and "MZ" columns in peak data (peakData(object))
targets.list	File path to simple table of the internal standards. Table should have three columns: compoundID, mass-charge and retention time (with or without header).
mz.window	Peak corresponding to standard compound is searched in this range of MZs around standard MZ value.
rt.window	Peak corresponding to standard compound is searched in this range of RTs around standard RT value.

Value

MSdata-class object with recalculated MZ values in peak data

See Also

RTindexing

flajole/MSdata documentation built on May 16, 2019, 1:17 p.m.