manualChromPeaks {xcms} | R Documentation |
The manualChromPeaks
function allows to manually define chromatographic
peaks which are added to the object's chromPeaks
matrix. In contrast to
findChromPeaks()
, no peak detection is performed (e.g. using an
algorithm such as centWave) but the peak is added as defined by the user.
Note that a peak will not be added if no signal (intensity) was found in a
sample within the provided boundaries.
Because chromatographic peaks are added to eventually previously identified
peaks, it is suggested to run refineChromPeaks()
with the
MergeNeighboringPeaksParam()
approach to merge potentially overlapping
peaks.
manualChromPeaks( object, chromPeaks = matrix(), samples = seq_along(fileNames(object)), BPPARAM = bpparam(), msLevel = 1L )
object |
|
chromPeaks |
|
samples |
optional |
BPPARAM |
parallel processing settings (see |
msLevel |
|
XCMSnExp
with the manually defined peaks added to the chromPeaks
matrix.
Johannes Rainer