Input dataFunctions to read and input data in |
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Read Skyline exported files |
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Convert data.frame/matrix to LipidomicsExperiment |
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Add sample annotation to Skyline data frame |
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Metabolomics Workbench integration |
Preprocessing dataFunctions to summarise, impute and normalize lipidomics datasets |
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Summarize transitions |
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Impute missing values in a LipidomicsExperiment |
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Normalize each class by its corresponding internal standard(s). |
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Perform Probabilistic Quotient Normalization for intensities. |
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Quality control and data visualizationFunctions to visually QC your lipidomics datasets |
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Informative plots to investigate lipid classes |
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Informative plots to investigate individual lipid molecules |
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Informative plots to investigate samples |
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Remove molecules with CV larger that a threshold |
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Univariate analysisPerform univariate analysis for lipidomics datasets |
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Differential analysis of lipids between sample groups |
Multivariate analysisPerform and visualize PCA, PCoA and OPLS-DA for lipidomics datasets |
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Perform multivariate analyses to investigate sample clustering |
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Enrichment analysis |
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Lipid set enrichment analysis (LSEA) |
Generate lipid sets from lipid molecule names |
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Lipid-centric analysis |
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Plot logFC of lipids per class showing chain information |
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Plot a regulation trend line between logFC and chain annotation |
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Parse molecule names to extract lipid class and chain information. |
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Integration with Metabolomics Workbench for data mining |
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Metabolomics Workbench integration |
LipidomicsExperiment object structure and manipulation |
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LipidomicsExperiment object |
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Constructor for Lipidomics experiment from list of assays |
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Functions to get and set attributes of LipidomicsExperiment objects |
Rename molecules in a dataset. |
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Remove molecules with CV larger that a threshold |
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Get a list of molecules that couldn't be parsed by |
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Remove molecules that couldn't be parsed by |
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Enable interactive graphics |
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Activate interactive graphics |