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Data Normalization of (1)H NMR Metabolite Fingerprinting Data Sets in the Presence of Unbalanced Metabolite Regulation

Hochrein, Jochen ; Zacharias, Helena ; Taruttis, Franziska ; Samol, Claudia ; Engelmann, Julia C. ; Spang, Rainer ; Oefner, Peter J. ; Gronwald, Wolfram


Data normalization is an essential step in NMR-based metabolomics. Conducted properly, it improves data quality and removes unwanted biases. The choice of the appropriate normalization method is critical and depends on the inherent properties of the data set in question. In particular, the presence of unbalanced metabolic regulation, where the different specimens and cohorts under investigation ...


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