Metabolomics

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  MsCompare for Peak Matching & Peak Picking in Metabolomics

  Use optimized Peak Matching based on one of the (pooled) samples. Optimize High Resolution Peak Picking and subsequently detect all peaks in all samples. Next use MsCompare to define groupings and to find relevant peaks for differentiation between the classes/groups.

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  Optimized Alignment Algorithms

  Are your samples not well aligned? First use one of the four powerful alignment algorithms available in MsCompare as the first steps in data analysis.

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  Differentiate Groups using Univariate and Multivariate Analysis: stay in contact with your data

  Use univariate statistics to find the most important peaks discriminating your classes. If no unique peaks are present, use Multivariate techniques like PCA, PLS-DA, Clustering, Support Vector Machines or Extended Canonical Variates Analysis. Validate your results by checking the MS Extracted Ion Currents and Mass Spectra. Is it really true what the models tell you?

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