DSP: Storage > Processing > Statistics > Identification > Interpretation
Pre-processing of metabolomics data includes quantitative profiling by using dedicated peak identification software. The tools developed from projects on the preprocessing of hyphenated analytical data, will soon be implemented in the tooling pipeline and found here. Preprocessing projects in the NMC primarily aims at two challenges: multiple sample peak identification and quantification through deconvolution and platform independent quantification (see links Frans: http://www.metabolomicscentre.nl/project/data-processing-strategies-uniform-metabolite-quantification en Shaji: http://www.metabolomicscentre.nl/project/preprocessing-hyphenated-analytical-data Quantitative profiling).
At present stand alone tools for multi-sample deconvolution of GC-MS and LC-MS data can be obtained from the author (http://www.metabolomicscentre.nl/project/preprocessing-hyphenated-analytical-data).
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Automated generation of measurement designs from study design information and needs defined by the analytical chemistry and quality control procedure.
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The quality control software tool provides information on quality of analytical measurements and preprocessing
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