combineMultiplicities {RMassBank} | R Documentation

## Combine workspaces for multiplicity filtering

### Description

Combines multiple msmsWorkspace items to one workspace which is used for multiplicity filtering.

### Usage

    combineMultiplicities(workspaces)

### Arguments

`workspaces` | A vector of `msmsWorkspace` items. The first item is taken as the "authoritative" workspace, i.e. the one which will be used for the record generation. The subsequent workspaces will only be used for multiplicity filtering.

### Details

This feature is particularily meant to be used in conjunction with the `confirmMode` option of `msmsWorkflow`: a file can be analyzed with `confirmMode = 0` (default) and subsequently with `confirmMode = 1` (take second highest scan). The second analysis should contain "the same" spectra as the first one (but less intense) and can be used to confirm the peaks in the first spectra.

TO DO: Enable the combination of workspaces for combining e.g. multiple energy settings measured separately.

### Value

A `msmsWorkspace` object prepared for step 8 processing.

### Author(s)

Stravs MA, Eawag <michael.stravs@eawag.ch>

### See Also

`msmsWorkspace-class`

### Examples

    ## Not run:
    	w <- newMsmsWorkspace
     w@files <- c("spec1", "spec2")
     w1 <- msmsWorkflow(w, steps=c(1:7), mode="pH")
     w2 <- msmsWorkflow(w, steps=c(1:7), mode="pH", confirmMode = 1)
     wTotal <- combineMultiplicities(c(w1, w2))
     wTotal <- msmsWorkflow(wTotal, steps=8, mode="pH", archivename = "output")
     # continue here with mbWorkflow

    ## End(Not run)

[Package RMassBank version 3.0.0 Index]