Uses the new xcms3
interface from the xcms package to find features.
findFeaturesXCMS3(
analysisInfo,
param = xcms::CentWaveParam(),
...,
verbose = TRUE
)
A data.frame
with Analysis information.
The method parameters used by XCMS peak finding, see
xcms::findChromPeaks
Further parameters passed to xcms::findChromPeaks
.
If set to FALSE
then no text output is shown.
An object of a class which is derived from features
.
This function uses XCMS3 to automatically find features. This function is called when calling findFeatures
with
algorithm="xcms3"
.
The file format of analyses must be mzML
or mzXML
.
The input MS data files need to be centroided. The convertMSFiles
function can be used to
centroid data.
Smith, C.A. and Want, E.J. and O'Maille, G. and Abagyan,R. and Siuzdak, G.: XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching and identification, Analytical Chemistry, 78:779-787 (2006)
Ralf Tautenhahn, Christoph Boettcher, Steffen Neumann: Highly sensitive feature detection for high resolution LC/MS BMC Bioinformatics, 9:504 (2008)
H. Paul Benton, Elizabeth J. Want and Timothy M. D. Ebbels Correction of mass calibration gaps in liquid chromatography-mass spectrometry metabolomics data Bioinformatics, 26:2488 (2010)
findFeatures
for more details and other algorithms.