Figure 1
MeRy-B architecture and workflow for the capture and management of metabolomic data. MeRy-B has four components, following the steps of a metabolomic experiment: (a) description of Experimental Design, (b) Analytical Metadata, (c) Spectral Data, including preprocessed spectra data supplied by users and processed spectra obtained with custom-designed tools, (d) capture of Compounds with names based on the KEGG database and chemical annotation of chemical shift based on IUPAC rules where possible. Metadata description is supported by controlled vocabularies and ontologies. Unstructured "free" text is recorded as protocols in PDF format. The administration component (e) takes into account different rights of access for both projects and users. Project status defines the type of information to which users have access, as a function of their access rights for the project concerned.