Basic Functions to Investigate Metabolomics Data Matrices
AdjustSymbols.
sumformula_from_CAS.
unique_labels.
CheckForOutliers.
ClassificationCV.
ClassificationHistogram.
ClassificationWrapper.
find_boundaries.
MBoxplot.
MetaboliteANOVA.
msconvert.
PlotMetabolitePCA.
RestrictedPCA.
PlotPValueHist.
PolarCoordHeterPlot.
RemoveFactorsByANOVA.
ReplaceMissingValues.
spectra_format_converter.
unique_subformula_masses
A set of functions to investigate raw data from (metabol)omics experiments intended to be used on a raw data matrix, i.e. following peak picking and signal deconvolution. Functions can be used to normalize data, detect biomarkers and perform sample classification. A detailed description of best practice usage may be found in the publication <doi:10.1007/978-1-4939-7819-9_20>.