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XCMS was originally developed to process liquid-chromatography/mass spectrometry (LC-MS) data in metabolomic studies with the R statistics and graphics language (–3 

The main focus of XCMS is the processing of raw data and statistical analysis, but it also has built connections to the METLIN database of the Scripps Institute (, which provides reference spectra for numerous metabolites.4,5  In addition, XCMS2 enables mass fragmentation (MS/MS) data to be matched against the METLIN reference library.6 

The first releases of XCMS focused on comparing two sample groups, such as a diseased versus a control group. Subsequently, metaXCMS allowed multiple untargeted metabolics datasets to be compared.7,8 

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