retrieveSpectrum {MAIT}R Documentation

Extractor of the mass peaks corresponding to a certain spectrum

Description

Function retrieveSpectrum extracts the mass peaks of a certain spectrum provided a dataframe where the spectrum labels are in a column called pcgroup.

Usage


retrieveSpectrum(spectrumNumber,sigPeaksTable)

Arguments

spectrumNumber

The spectrum ID number whose peaks we want to retrieve.

sigPeaksTable

A dataframe containing the peak data in rows. There should be a column called pcgroup containing the spectra correspondence for all the peaks and the firts column should contain the peak masses.

Value

A numeric vector containing the peak masses of the queried spectrum.

Author(s)

Francesc Fernandez, francesc.fernandez.albert@upc.edu

See Also

Biotransformations


[Package MAIT version 1.28.0 Index]