validate_nmr_dataset: Validate nmr_dataset objects

In sipss/AlpsNMR: Automated spectraL Processing System for NMR

Validate nmr_dataset objects

Description

Validate nmr_dataset objects

Validate 1D nmr datasets

Usage

validate_nmr_dataset(samples)

validate_nmr_dataset_1D(nmr_dataset_1D)

Arguments

samples	An nmr_dataset object
nmr_dataset_1D	An nmr_dataset_1D object

Value

Validate nmr_dataset objects

The nmr_dataset_1D unchanged

This function is useful for its side-effects. Stopping in case of error

See Also

Other class helper functions: format.nmr_dataset(), format.nmr_dataset_1D(), format.nmr_dataset_peak_table(), is.nmr_dataset_1D(), is.nmr_dataset_peak_table(), new_nmr_dataset(), new_nmr_dataset_1D(), new_nmr_dataset_peak_table(), print.nmr_dataset(), print.nmr_dataset_1D(), print.nmr_dataset_peak_table(), validate_nmr_dataset_family(), validate_nmr_dataset_peak_table()

Other class helper functions: format.nmr_dataset(), format.nmr_dataset_1D(), format.nmr_dataset_peak_table(), is.nmr_dataset_1D(), is.nmr_dataset_peak_table(), new_nmr_dataset(), new_nmr_dataset_1D(), new_nmr_dataset_peak_table(), print.nmr_dataset(), print.nmr_dataset_1D(), print.nmr_dataset_peak_table(), validate_nmr_dataset_family(), validate_nmr_dataset_peak_table()

Examples

dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR")
dataset <- nmr_read_samples_dir(dir_to_demo_dataset)
validate_nmr_dataset(dataset)

dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR")
dataset <- nmr_read_samples_dir(dir_to_demo_dataset)
dataset_1D <- nmr_interpolate_1D(dataset, axis = c(min = -0.5, max = 10, by = 2.3E-4))
dataset_1D_validated <- validate_nmr_dataset_1D(dataset_1D)

sipss/AlpsNMR documentation built on Aug. 13, 2024, 5:11 p.m.