filterLowaccResults: Filter peaks with low accuracy

Description Usage Arguments Details Value Author(s) See Also Examples

Description

Filters a peak table (with annotated formulas) for accuracy. Low-accuracy peaks are removed.

Usage

1
filterLowaccResults(peaks, mode="fine", filterSettings  = getOption("RMassBank")$filterSettings)

Arguments

peaks

A data frame with at least the columns mzFound and dppm.

mode

coarse or fine, see below.

filterSettings

Settings for filtering. For details, see documentation of analyzeMsMs

Details

In the coarse mode, mass tolerance is set to 10 ppm (above m/z 120) and 15 ppm (below m/z 120). This is useful for formula assignment before recalibration, where a wide window is desirable to accomodate the high mass deviations at low m/z values, so we get a nice recalibration curve.

In the fine run, the mass tolerance is set to 5 ppm over the whole mass range. This should be applied after recalibration.

Value

A list(TRUE = goodPeakDataframe, FALSE = badPeakDataframe) is returned: A data frame with all peaks which are "good" is in return[["TRUE"]].

Author(s)

Michael Stravs

See Also

analyzeMsMs, filterPeakSatellites

Examples

1
2
# from analyzeMsMs:
## Not run: childPeaksFilt <- filterLowaccResults(childPeaksInt, filterMode)


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