validate_nmr_dataset: Validate nmr_dataset objects

In AlpsNMR: Automated spectraL Processing System for NMR

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_1D(), format.nmr_dataset_peak_table(), format.nmr_dataset(), is.nmr_dataset_1D(), is.nmr_dataset_peak_table(), new_nmr_dataset_1D(), new_nmr_dataset_peak_table(), new_nmr_dataset(), print.nmr_dataset_1D(), print.nmr_dataset_peak_table(), print.nmr_dataset(), validate_nmr_dataset_family(), validate_nmr_dataset_peak_table()

Other nmr_dataset functions: [.nmr_dataset(), format.nmr_dataset(), load_and_save_functions, new_nmr_dataset(), nmr_interpolate_1D(), nmr_meta_add(), nmr_meta_export(), nmr_meta_get_column(), nmr_meta_get(), nmr_ppm_resolution(), nmr_read_samples(), print.nmr_dataset()

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

Other nmr_dataset_1D functions: [.nmr_dataset_1D(), computes_peak_width_ppm(), file_lister(), files_to_rDolphin(), format.nmr_dataset_1D(), is.nmr_dataset_1D(), load_and_save_functions, new_nmr_dataset_1D(), nmr_align_find_ref(), nmr_baseline_removal(), nmr_baseline_threshold(), nmr_exclude_region(), nmr_integrate_regions(), nmr_interpolate_1D(), nmr_meta_add(), nmr_meta_export(), nmr_meta_get_column(), nmr_meta_get(), nmr_normalize(), nmr_pca_build_model(), nmr_pca_outliers_filter(), nmr_pca_outliers_plot(), nmr_pca_outliers_robust(), nmr_pca_outliers(), nmr_ppm_resolution(), plot.nmr_dataset_1D(), plot_webgl(), print.nmr_dataset_1D(), rdCV_PLS_RF_ML(), rdCV_PLS_RF(), save_files_to_rDolphin(), to_ChemoSpec(), 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)

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