addPeaksManually: Addition of manual peaklists

In sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records

Description

Adds a manual peaklist in matrix-format

Usage

addPeaksManually(w, cpdID, handSpec, mode)

Arguments

w	The msmsWorkspace that the peaklist should be added to.
cpdID	The compoundID of the compound that has been used for the peaklist
handSpec	A peaklist with 2 columns, one with "mz", one with "int"
mode	The ionization mode that has been used for the spectrum represented by the peaklist

Value

The msmsWorkspace with the additional peaklist added to the right spectrum

Author(s)

Erik Mueller

See Also

msmsWorkflow

Examples

## Not run: 
		handSpec <- cbind(mz=c(274.986685367956, 259.012401087427, 95.9493025990907, 96.9573002472772),
                               int=c(357,761, 2821, 3446))
		addPeaksManually(w, cpdID, handSpec)

## End(Not run)

sneumann/RMassBank documentation built on Oct. 20, 2020, 3:19 p.m.