nmrML:Community portal
The Idea
The COSMOS international consortium (http://www.cosmos-fp7.eu), in collaboration with groups from the former Metabolomics Standards Initiative (MSI,1), is rising to this challenge. For mass spectrometry the mzML format (2) by the Proteomics Standards Initiative (PSI) is already a widely accepted, XML-based open standard and will be re-used in the metabolomics context. The COSMOS partners focus on the collaborative generation of an XML-based format for encoding raw NMR instrument data, acquisition and processing parameters, which are needed for loss free spectrum reproduction.
Reference
1. Sansone S-A, Fan T, Goodacre R, Griffin JL, Hardy NW, Kaddurah-Daouk R, Kristal BS, Lindon J, Mendes P, Morrison N, Nikolau B, Robertson D, Sumner LW, Taylor C, van der Werf M, van Ommen B & Fiehn O (2007) The metabolomics standards initiative. Nat Biotechnol 25, 844–848.
2. Martens L, Chambers M, Sturm M, Kessner D, Levander F, Shofstahl J, Tang WH, Rompp A, Neumann S, Pizarro AD, Montecchi-Palazzi L, Tasman N, Coleman M, Reisinger F, Souda P, Hermjakob H, Binz P-A, Deutsch EW (2011) mzML - a Community Standard for Mass Spectrometry Data. Molecular & Cellular Proteomics.
