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RMassBank (version 2.0.0)

selectPeaks: Select peaks from aggregate table

Description

Selects peaks from aggregate table according to different criteria.

Usage

selectPeaks(o, ...)


"selectPeaks"(o, good = FALSE, bad = FALSE, cleaned = FALSE, best = FALSE)


"selectPeaks"(o, ...)

Arguments

o
msmsWorkspace or aggregate data.frame from a workspace.
...
no additional parameters
good
if TRUE, include good (matched within filter criteria) peaks.
bad
if TRUE, include bad (not matched within filter criteria) peaks. Note: good and bad can be combined, both are returned in that case.
cleaned
if TRUE, return only peaks which passed the noise filter. Note: If the noise filter was not applied, the parameter has no effect. Also, a noise column is in any case added to the output, even if not present before.
best
if TRUE, only select the best match for each peak (i.e. the formula with smallest delta ppm). Otherwise multiple matches can be returned.

Value

Peak dataframe according to the specified criteria.

Methods (by class)

  • data.frame: A method to retrieve the specified peaks from the "aggregated" slot (a data.frame object) in an msmsWorkSpace
  • msmsWorkspace: A method to retrieve the specified peaks from an msmsWorkSpace