FAME outlier detection
A function to detect retention time marker (FAME) outliers.
A retention time matrix of the found retention time markers.
A character string naming a PDF file where the FAMEs report will be saved.
A numeric vector with the starting days of your day groups.
A numeric vector with the ending days of your day groups.
A standard deviations cutoff to detect outliers.
A numeric cutoff to detect day groups based on hierarchical
clustering. Must be between
pdffile argument is given, the report will be saved on a file called
YYYY-MM-DD is a
endDay are not given, the function will try
to detect day groups using a hierarchical clustering approach by cutting the tree
group.threshold as cutoff height.
Retention time markers that deviate more than
deviations from the mean of their day group will be identified as outliers.
A logical matrix of the same size of
TRUE value indicates
that the retention time marker in that particular sample is an outlier.
Alvaro Cuadros-Inostroza, Matthew Hannah, Henning Redestig
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require(TargetSearchData) data(TargetSearchData) # find the retention marker outliers of the example data and save it in "outlier.pdf" outliers <- FAMEoutliers(sampleDescription, RImatrix, pdffile = "outlier.pdf") # find the outliers (although they are reported in the output PDF file) apply(outliers, 1, which)
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