getData

getData,RmbSpectrum2-method

The <code>RmbSpectrum2</code> object to extract data from.


Returns a data frame with columns for all non-empty slots in a <code>RmbSpectrum2</code> object. Note that <code>MSnbase::Spectrum</code> has
a method <code>as.data.frame</code>, however that one will return only mz, intensity. This function is kept separate to ensure downwards
compatibility since it returns more columns than MSnbase <code>as.data.frame</code>.


Workflow to process tandem MS files and build MassBank records.
Functions include automated extraction of tandem MS spectra, formula
assignment to tandem MS fragments, recalibration of tandem MS spectra with
assigned fragments, spectrum cleanup, automated retrieval of compound
information from Internet databases, and export to MassBank records.

RMassBank at Eawag

RMassBank

Workflow to process tandem MS files and build MassBank records

getData function

Returns a data frame with columns for all non-empty slots in a <code>RmbSpectrum2</code> object. Note that <code>MSnbase::Spectrum</code> has
a method <code>as.data.frame</code>, however that one will return only mz, intensity. This function is kept separate to ensure downwards
compatibility since it returns more columns than MSnbase <code>as.data.frame</code>.

getData: Get data frame with all present peak data

Description

Usage

Arguments

Value