Uses the legacy xcmsSet function from the xcms package to find features.

findFeaturesXCMS(analysisInfo, method = "centWave", ..., verbose = TRUE)

Arguments

analysisInfo

A data.frame with Analysis information.

method

The method setting used by XCMS peak finding, see xcms::findPeaks

...

Further parameters passed to xcmsSet.

verbose

If set to FALSE then no text output is shown.

Value

An object of a class which is derived from features.

Details

This function uses XCMS to automatically find features. This function is called when calling findFeatures with algorithm="xcms".

This function uses the legacy interface of xcms. It is recommended to use findFeaturesXCMS3 instead.

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.

References

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)

See also

findFeatures for more details and other algorithms.

findFeaturesXCMS3