Get Spectra Data

Extracts data from a Spectra object into a data.frame with columns for spectrum ID, mz, intensity, and requested spectrum variables.

Usage

get_Spectra_data(sp, var = c("precursorMz", "collisionEnergy"))

Arguments

sp

A Spectra object containing mass spectrometry data.

var

Character vector of spectrum variables to include in the output. Default is c("precursorMz", "collisionEnergy"). Should be valid names from Spectra::spectraVariables().

Value

A data.frame with columns: sp.id (spectrum identifier), mz (mass-to-charge ratio), intensity (peak intensity), and any additional variables specified in var.

Details

get_Spectra_data