AlpsNMR-package {AlpsNMR} | R Documentation |
AlpsNMR allows you to import NMR spectra into R and provides automated and efficient signal processing for untargeted NMR metabolomics.
The following functions can be combined with the pipe. They create or modify the nmr_dataset object.
There are also functions to extract the metadata and submit the samples to irods, see the example below.
The nmr_dataset object is essentially a list, so it is easy to access its components for further analysis.
Maintainer: Luis Fernandez lfernandez@ibecbarcelona.eu (ORCID)
Authors:
Ivan Montoliu Roura Ivan.MontoliuRoura@rd.nestle.com
Sergio Oller Moreno soller@ibecbarcelona.eu (ORCID)
Francisco Madrid Gambin fmadrid@ibecbarcelona.eu (ORCID)
Héctor Gracia Cabrera hgracia@ibecbarcelona.eu
Santiago Marco Colás smarco@ibecbarcelona.eu (ORCID)
Other contributors:
Nestlé Institute of Health Sciences [copyright holder]
Institute for Bioengineering of Catalonia [copyright holder]
dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR") dataset <- nmr_read_samples_dir(dir_to_demo_dataset) my_nmr_dataset <- dataset %>% nmr_interpolate_1D(axis = c(0.4, 10)) %>% nmr_exclude_region(exclude = list(water = c(4.6, 5))) %>% nmr_normalize(method = "pqn") %>% plot