Convert to ChemoSpec Spectra class — to_ChemoSpec • AlpsNMR

Convert to ChemoSpec Spectra class

to_ChemoSpec(nmr_dataset, desc = "A nmr_dataset", group = NULL)

Arguments

nmr_dataset: An nmr_dataset_1D object
desc: a description for the dataset
group: A string with the column name from the metadata that has grouping information

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()

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)