new_nmr_dataset {AlpsNMR} | R Documentation

## Create an nmr_dataset object

### Description

Create an nmr_dataset object

### Usage

    new_nmr_dataset(metadata, data_fields, axis)

### Arguments

`metadata` | A named list of data frames
`data_fields` | A named list. Check the examples
`axis` | A list. Check the examples

### Value

Create an nmr_dataset object

Create an nmr_dataset object

### See Also

Other class helper functions: `format.nmr_dataset_1D()`, `format.nmr_dataset_peak_table()`, `format.nmr_dataset()`, `is.nmr_dataset_1D()`, `is.nmr_dataset_peak_table()`, `new_nmr_dataset_1D()`, `new_nmr_dataset_peak_table()`, `print.nmr_dataset_1D()`, `print.nmr_dataset_peak_table()`, `print.nmr_dataset()`, `validate_nmr_dataset_family()`, `validate_nmr_dataset_peak_table()`, `validate_nmr_dataset()`

Other nmr_dataset functions: `[.nmr_dataset()`, `format.nmr_dataset()`, `load_and_save_functions`, `nmr_interpolate_1D()`, `nmr_meta_add()`, `nmr_meta_export()`, `nmr_meta_get_column()`, `nmr_meta_get()`, `nmr_ppm_resolution()`, `nmr_read_samples()`, `print.nmr_dataset()`, `validate_nmr_dataset()`

### Examples

    #
    metadata_1D <- list(external = data.frame(NMRExperiment = c("10", "20")))
    # Sample 10 and Sample 20 can have different lengths (due to different setups)
    data_fields_1D <- list(data_1r = list(runif(16), runif(32)))
    # Each sample has its own axis list, with one element (because this example is 1D)
    axis_1D <- list(list(1:16), list(1:32))
    my_1D_data <- new_nmr_dataset(metadata_1D, data_fields_1D, axis_1D)

    # Example for 2D samples
    metadata_2D <- list(external = data.frame(NMRExperiment = c("11", "21")))
    data_fields_2D <- list(data_2rr = list(matrix(runif(16*3), nrow=16, ncol=3),
                            runif(32*3), nrow=32, ncol=3))
    # Each sample has its own axis list, with one element (because this example is 1D)
    axis_2D <- list(list(1:16, 1:3), list(1:32, 1:3))
    my_2D_data <- new_nmr_dataset(metadata_2D, data_fields_2D, axis_2D)

[Package AlpsNMR version 3.2.3 Index]