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