Imports feature groups from XCMS (new interface)

Imports feature groups from XCMS (new interface)

importFeatureGroupsXCMS3(input, analysisInfo)

Arguments

input

An XCMSnExp object.

analysisInfo

A data.frame (or data.table) with Analysis information.

Value

An object of a class which is derived from featureGroups.

Details

This function imports data from XCMS3. This function is called when calling importFeatureGroups with type="xcms3".

References

Benton HP, Want EJ, Ebbels TMD (2010). “Correction of mass calibration gaps in liquid chromatography-mass spectrometry metabolomics data.” BIOINFORMATICS, 26, 2488.

Louail P, Brunius C, Garcia-Aloy M, Kumler W, Storz N, Stanstrup J, Treutler H, Vangeenderhuysen P, Witting M, Neumann S, Rainer J (2025). “xcms in Peak Form: Now Anchoring a Complete Metabolomics Data Preprocessing and Analysis Software Ecosystem.” Analytical Chemistry. doi:10.1021/acs.analchem.5c04338 . https://doi.org/10.1021/acs.analchem.5c04338.

Smith, C.A., Want, E.J., O'Maille, G., Abagyan,R., Siuzdak, G. (2006). “XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching and identification.” Analytical Chemistry, 78, 779–787.

Tautenhahn R, Boettcher C, Neumann S (2008). “Highly sensitive feature detection for high resolution LC/MS.” BMC Bioinformatics, 9, 504.

See also

importFeatureGroups for more details and other algorithms.

groupFeaturesXCMS3