to_ChemoSpec {AlpsNMR} | R Documentation

## Convert to ChemoSpec Spectra class

### 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)

[Package AlpsNMR version 3.2.3 Index]