nmr_ppm_resolution: PPM resolution of the spectra

In AlpsNMR: Automated spectraL Processing System for NMR

Description

The function gets the ppm resolution of the dataset using the median of the difference of data points.

Usage

nmr_ppm_resolution(nmr_dataset)

## S3 method for class 'nmr_dataset'
nmr_ppm_resolution(nmr_dataset)

## S3 method for class 'nmr_dataset_1D'
nmr_ppm_resolution(nmr_dataset)

Arguments

nmr_dataset

An object containing NMR samples

Value

Numeric (the ppm resolution, measured in ppms)

See Also

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_read_samples(), print.nmr_dataset(), validate_nmr_dataset()

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(), 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(), validate_nmr_dataset()

Examples

nmr_dataset <- nmr_dataset_load(system.file("extdata", "nmr_dataset.rds", package = "AlpsNMR"))
nmr_ppm_resolution(nmr_dataset)
message("the ppm resolution of this dataset is ", nmr_ppm_resolution(nmr_dataset), " ppm")

nmr_dataset <- nmr_dataset_load(system.file("extdata", "nmr_dataset.rds", package = "AlpsNMR"))
nmr_ppm_resolution(nmr_dataset)
message("the ppm resolution of this dataset is ", nmr_ppm_resolution(nmr_dataset), " ppm")

nmr_dataset <- nmr_dataset_load(system.file("extdata", "nmr_dataset.rds", package = "AlpsNMR"))
nmr_ppm_resolution(nmr_dataset)
message("the ppm resolution of this dataset is ", nmr_ppm_resolution(nmr_dataset), " ppm")

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