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.

- `nmr_read_samples_dir()` or `nmr_read_samples()`

- `nmr_interpolate_1D()`

- `nmr_exclude_region()`

- `nmr_normalize()`

- plot()

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: 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]

### 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 3.2.3 Index]