Combine workspaces for multiplicity filtering
Combines multiple msmsWorkspace items to one workspace which is used for multiplicity filtering.
A vector of
This feature is particularily meant to be used in
conjunction with the
confirmMode option of
a file can be analyzed with
confirmMode = 0 (default) and subsequently
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.
msmsWorkspace object prepared for step 8 processing.
Stravs MA, Eawag <email@example.com>
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## 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)