AlpsNMR-package {AlpsNMR}R Documentation

AlpsNMR: Automated spectraL Processing System for NMR

Description

AlpsNMR allows you to import NMR spectra into R and provides automated and efficient signal processing for untargeted NMR metabolomics.

Details

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.

Author(s)

Maintainer: Sergio Oller Moreno sergioller@gmail.com (ORCID)

Authors:

Other contributors:

Examples

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

[Package AlpsNMR version 3.3.4 Index]