setData

setData,RmbSpectrum2,data.frame-method

The <code>RmbSpectrum2</code> object to modify

<code>TRUE</code> if slots which aren't present as columns in the data frame should be cleared.

clean


Sets all slots which are present as columns in the given dataframe. Optionally cleans the object, i.e. empties slots not defined in the data frame.


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

setData function

Sets all slots which are present as columns in the given dataframe. Optionally cleans the object, i.e. empties slots not defined in the data frame.

setData: Set `RmbSpectrum2` data from data.frame

Description

Usage

Arguments

Value