|
xcms is written in R statistical programming language and is freely available under an open-source license. It is distributed through this site and through the METLIN Metabolite Database and Bioconductor bioinformatics project websites. The openness of the software allows it to be easily customized for different data analysis needs or optimized for a particular application. Also, the design of xcms allows for many complex tasks to be programmed and perfomed without user intervention. A key example is how it integrates peak detection statistical analysis and subsequent visulaization of raw data for verifcation purposes. Additionally, while the software has been designed for LC/MS metabolite data, it could also be adapted to work with other types of data, such as peptide digests, or other instrumentation, such as GC/MS.
|
