resASICS: Resultat of metabolite quantification performed with ASICS
In GaelleLefort/ASICSdata: Example of 1D NMR spectra data for ASICS package

Description Format References Examples

Results of ASICS (Tardivel et al., 2017) for metabolite quantification on spectra from Salek et al. (2007)..

txt file with 150 rows (quantified metabolites) and 50 columns (spectra), separated by spaces with row names (metabolite names) and column names (sample identifiers)

Salek R.M., Maguire M.L., Bentley E., Rubtsov D.V., Hough T., Cheeseman M., Nunez D., Sweatman B.C., Haselden J.N., Cox R.D., Connor S.C., Griffin J.L. (2007). A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human. Physiological genomics, 29(2), 99-108. DOI: 10.1152/physiolgenomics.00194.2006

Tardivel P., Canlet C., Lefort G., Tremblay-Franco M., Debrauwer L., Concordet D., Servien R. (2017). ASICS: an automatic method for identification and quantification of metabolites in complex 1D 1H NMR spectra. Metabolomics, 13(10), 109. DOI: 10.1007/s11306-017-1244-5

data_path <- system.file("extdata", "results_ASICS.txt",
                         package = "ASICSdata")
results <- read.table(data_path, header = TRUE, row.names = 1)
dim(results)