MeltDB
MeltDB is a open source framework providing analysis methods for raw GC- and LC-MS metabolome data sets and offers methods to combine the respective results. Flexible tool pipelines allows both the import of pre-processed data as well as the integration of existing open source analysis packages such as XCMS, MassSpecWavelet or metaB. For the identification of metabolites based on mass spectra either the GMD database or user defined libraries in NIST are queried. MeltDB supports normalization of metabolite quantities by internal standards (e.g. Ribitol) and also dry weight or cell volumina and allows to apply standard statistics methods (T-Tests, AOV, Hierachical Clustering) and explorative visualizations (PCA, ICA, Heatmaps Clustering results) on them using the R software collection. The integration of genomic and transcriptomic data sets originating from GenDB or EMMA2 is achieved via SOAP based web services enabling interactive visualizations of metabolite concentrations together with transcript measurements mapped on e.g. KEGG pathways. Find this service in BioTools here.
Funding: Service provision and maintenance funded by de.NBI.
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