nmr_ppm_resolution: PPM resolution of the spectra

In sipss/AlpsNMR: Automated spectraL Processing System for NMR

PPM resolution of the spectra

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_1D functions: [.nmr_dataset_1D(), format.nmr_dataset_1D(), get_integration_with_metadata(), is.nmr_dataset_1D(), nmr_integrate_peak_positions(), nmr_integrate_regions(), nmr_meta_add(), nmr_meta_export(), nmr_meta_get(), nmr_meta_get_column(), print.nmr_dataset_1D()

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")

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