Metabolomics Univariate and Multivariate Analysis

Preprocessing of high-throughput data (normalization and scalings); Principal Component Analysis with help tool for choosing best-separating principal components and automatic testing for outliers; automatic univariate analysis for parametric and non-parametric data, with generation of specific reports (volcano and box plots); partial least square discriminant analysis (PLS-DA); orthogonal partial least square discriminant analysis (OPLS-DA); Statistical Total Correlation Spectroscopy (STOCSY); Ratio Analysis Nuclear Magnetic Resonance (NMR) Spectroscopy (RANSY).


Reference manual

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1.4 by Edoardo gaude, 9 years ago

Browse source code at

Authors: Edoardo Gaude , Francesca Chignola , Dimitrios Spiliotopoulos , Silvia Mari , Andrea Spitaleri and Michela Ghitti

Documentation:   PDF Manual  

GPL-2 license

Depends on car, pdist, pls, gplots, mvtnorm, robustbase, gtools, bitops, caTools, pcaPP, rrcov

See at CRAN