combineMultiplicities {RMassBank} | R Documentation |
Combines multiple msmsWorkspace items to one workspace which is used for multiplicity filtering.
combineMultiplicities(workspaces)
workspaces |
A vector of |
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.
A msmsWorkspace
object prepared for step 8 processing.
Stravs MA, Eawag <michael.stravs@eawag.ch>
## 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)