nmr_dataset: nmr_dataset (S3 class)

In AlpsNMR: Automated spectraL Processing System for NMR

Description

An nmr_dataset represents a set of NMR samples. It is defined as an S3 class, and it can be treated as a regular list.

Details

It currently has the following elements:

• metadata: A list of data frames. Each data frame contains metadata of a given area (acquisition parameters, preprocessing parameters, general sample information...)

• axis: A list with length equal to the dimensionality of the data. For 1D spectra it is a list with a numeric vector

• data_*: Data arrays with the actual spectra. The first index represents the sample, the rest of the indices match the length of each axis. Typically data_1r is a matrix with one sample on each row and the chemical shifts in the columns.

• num_samples: The number of samples in the dataset

See Also

Functions to save and load these objects

Other AlpsNMR dataset objects: nmr_dataset_1D, nmr_dataset_family

AlpsNMR documentation built on April 1, 2021, 6:02 p.m.