MetCorR - QC-based metabolomics LC-MS signal drift correction using GAMs

Installation

You can install the development version of MetCorR like so:

    if (!"remotes" %in% rownames(installed.packages())) {
      install.packages("remotes")}
    remotes::install_github("plyush1993/MetCorR", build_vignettes = TRUE)

Example

This is a basic example:

    library(MetCorR)

    # load example data shipped with the package
    data(example_intensity, package = "MetCorR")
    data(example_meta,      package = "MetCorR")

    # run correction (method = 2 uses both run order and batch)
    out <- MetCorR(
      method   = 2,
      int_data = example_intensity,
      order    = example_meta$order,
      class    = example_meta$class,
      batch    = example_meta$batch,
      qc_label = "QC"
    )
    #> 
    #> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    #>   .--.   ,--.         ,--.   ,-----.              ,------.    
    #>   |   '.'   | .---. .-'  '-.'  .--.; .---. ,--.--.|  .--. '   
    #>   |  |'.'|  || .-. :'-.  .-'|  |    | .-. ||  .--'|  '--'.'   
    #>   |  |   |  ||  ---.  |  |  |  '--.;' '-' '|  |   |  |.  .    
    #>   '--'   '--' `----'  '--'   '-----' '---' '--'   '--' '--'   
    #> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    #> 
    #> Method 2 has been selected
    #> Used formula: y ~ s(order, batch)
    #> Fitting GAMs on QC samples...
    #> Predicting for all samples...