alignSpectra {MALDIquant} | R Documentation |
Align MassSpectrum objects.
Description
This function aligns a list of MassSpectrum
objects
(spectra alignment is also known as warping/phase correction).
Usage
alignSpectra(spectra, halfWindowSize=20, noiseMethod="MAD", SNR=2,
reference, tolerance=0.002, warpingMethod="lowess",
allowNoMatches=FALSE, emptyNoMatches=FALSE, ...)
Arguments
spectra |
|
halfWindowSize |
|
noiseMethod |
a noise estimation method; see
|
SNR |
single numeric value. |
reference |
|
tolerance |
|
warpingMethod |
used basic warping function; see
|
allowNoMatches |
|
emptyNoMatches |
|
... |
arguments to be passed to
|
Details
alignSpectra
is a wrapper function around
detectPeaks
,
determineWarpingFunctions
and
warpMassSpectra
. Please call these functions
manually if you need finer control (e.g. plotting of warping functions).
Value
Returns a list
of aligned MassSpectrum
objects.
Author(s)
Sebastian Gibb mail@sebastiangibb.de
See Also
detectPeaks
,
determineWarpingFunctions
,
referencePeaks
,
warpMassSpectra
,
MassSpectrum
demo("warping")
Website: https://strimmerlab.github.io/software/maldiquant/
Examples
## load package
library("MALDIquant")
## load example data
data("fiedler2009subset", package="MALDIquant")
## running typical workflow
## transform intensities
spectra <- transformIntensity(fiedler2009subset, method="sqrt")
## smooth spectra
spectra <- smoothIntensity(spectra, method="MovingAverage")
## baseline correction
spectra <- removeBaseline(spectra)
## align spectra
spectra <- alignSpectra(spectra)