retrieveSpectrum: Extractor of the mass peaks corresponding to a certain...
In MAIT: Statistical Analysis of Metabolomic Data

Description Usage Arguments Value Author(s) See Also

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

1	retrieveSpectrum(spectrumNumber,sigPeaksTable)

`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.

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

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

Biotransformations

MAIT documentation built on Nov. 8, 2020, 5:43 p.m.