to_ChemoSpec: Convert to ChemoSpec Spectra class

In AlpsNMR: Automated spectraL Processing System for NMR

Description

Convert to ChemoSpec Spectra class

Usage

to_ChemoSpec(nmr_dataset, desc = "A nmr_dataset")

Arguments

nmr_dataset	An nmr_dataset_1D object
desc	a description for the dataset

Value

A Spectra object from the ChemoSpec package

See Also

Other import/export functions: Pipelines, files_to_rDolphin(), load_and_save_functions, nmr_data(), nmr_meta_export(), nmr_read_bruker_fid(), nmr_read_samples(), nmr_zip_bruker_samples(), save_files_to_rDolphin(), save_profiling_output()

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(), validate_nmr_dataset_peak_table(), validate_nmr_dataset()

Examples

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))
chemo_spectra <- to_ChemoSpec(dataset_1D)

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