It is clear that algorithms do not drive metabolomics investigation, but rather the question one seeks to answer with metabolomics influences the data analysis strategy. The goal of this group is to define the reporting requirements associated with statistical and chemometric analysis of metabolite data. This will include identifying the type of algorithm that will be required, and where a model is built, its construction and its validation. These points must be reported so that the data analysis is as objective and unbiased as possible.

The DPWG will reach a consensus on the report structures needed for data processing (a) to be repeatable by other scientists and (b) to be statistically valid so that conclusions made are accurate.  These shall include:

• The design of the data generating experiment.

• Reporting of pre-processing algorithms used.

• Algorithm used included (i) exploratory data analysis, (ii) unsupervised learning and (iii) supervised learning methods.

• How the data analysis has been validated

The full documentation on the scope and organization of the MSI Data Processing WG can be download:

• Discussion document (version 2) release date 18-May-2006

• Discussion document (version 1) release date 12-Feb-2006