MetTailor

Mass spectrometry-based quantitative metabolomics (LC-MS or GC-MS) requires accurate peak alignment and adaptive normalization, both of which have known limitations in the current data extraction software packages. MetTailor is a software package that performs post-extraction processing steps such as cross-sample realignment and data normalization that are specifically designed to account for the experimental factors from chromatographic separation and MS analysis. The two major components are:

(1) A dynamic block summarization method for peak intensity data to correct mis-aligned peak features across the samples, significantly alleviating the missing data problem.

(2) A novel data normalization procedure that adaptively adjusts the normalizing factor for the temporal variation in the chromatography based on the data from local retention time regions.