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Refining the assumptions of the MetaboliteDetector retention index score

The code in this repository supports this publication. Here, you'll find 3 main folders:

Markdowns: Contains all the plots and analysis summaries from the publication. It is split into 6 markdowns, one for each figure in the publication, and another for supplemental analyses. Supplemental figures can be found throughout the markdowns.

RI Specific Data: Houses the results of the 10% holdout analyses for both the full and subset datasets. Other files, such as retention time information for FAMES files, are kept here as well.

Scripts: Holds the scripts for the 10% holdout analyses as well as the assumption violation simulations (for Figure 2)

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