To explore the basics of the AlpsNMR package, we have included four NMR samples acquired in a 600 MHz Bruker instrument bundled with the package. The samples are pooled quality control plasma samples, that were extracted with methanol, and therefore only contain small molecules.

If you have installed this package, you can obtain the directory where the four samples are with the command

MeOH_plasma_extraction_dir <- system.file("dataset-demo", package = "AlpsNMR")
MeOH_plasma_extraction_dir
The demo directory includes four samples (zipped) and a dummy Excel metadata file.

fs::dir_ls(MeOH_plasma_extraction_dir)
Given the name of the dataset, one may guess that the dataset was used to check the Methanol extraction in serum samples. The dummy metadata consists of dummy information, just for the sake of showing how this package can integrate external metadata. The excel file consists of two tidy tables, in two sheets.

MeOH_plasma_extraction_xlsx <- file.path(MeOH_plasma_extraction_dir, "dummy_metadata.xlsx")
exp_subj_id <- readxl::read_excel(MeOH_plasma_extraction_xlsx, sheet = 1)
subj_id_age <- readxl::read_excel(MeOH_plasma_extraction_xlsx, sheet = 2)
exp_subj_id
subj_id_age