pickPEAKS: Peak detection using the centWave method

In lauzikaite/massFlowR: LC-MS Data Pre-Processing

Description

High resolution, centroid LC/MS datafiles are peak-picked using centWave algorithm, implemented by xcms package [Tautenhahn 2008]. pickPEAKS is applied to a single datafile.

Usage

pickPEAKS(raw, cwt, fname)

Arguments

raw	OnDiskMSnExp class object for the single LC-MS spectrum of interest. Such object can be created by the MSnbase::readMSData function.
cwt	CentWaveParam class object with parameters for peak-picking. Object can be created by the xcms::CentWaveParam function.
fname	character specifying datafile name.

Value

Function returns a DataFrame object with picked-peaks and centWave details.

lauzikaite/massFlowR documentation built on April 29, 2020, 9:45 a.m.