Helper Functions For Dealing With GCMS and LCMS data from IonAnalytics
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I created this package as a place to house custom functions I've used a lot in analyses of analytical chemistry data durring my PhD. Some of these functions are essentially tidy wrappers for functions from the ropls package that allow extraction of results from model objects into tidy data frames. the *_IA() functions deal with csv files output by Ion Analytics, an in-house deconvolution software. Although it exports data as csv files, they are challenging due to line breaks within column headings, and a few other issues. Other utilities include a version of scale() with many additional options for scaling, and a function to calculate retention indices for GC data given retention times and numbers of carbons of alkanes. Although this package was primarily built with only me in mind, feel free to fork it or install it using devtools::install_github("Aariq/chemhelper")