Read NMR samples

These functions load samples from files and return a nmr_dataset.

nmr_read_samples_dir(
  samples_dir,
  format = "bruker",
  pulse_sequence = NULL,
  metadata_only = FALSE,
  ...
)

nmr_read_samples(
  sample_names,
  format = "bruker",
  pulse_sequence = NULL,
  metadata_only = FALSE,
  ...
)

Arguments

samples_dir

A directory or directories that contain multiple samples

format

Either "bruker" or "jdx"

pulse_sequence

If it is set to a pulse sequence ("NOESY", "JRES", "CPMG"...) it will only load the samples that match that pulse sequence.

metadata_only

A logical, to load only metadata (default: FALSE)

...

Arguments passed on to read_bruker_pdata

pdata_file

File name of the binary NMR data to load. Usually "1r". If NULL, it is autodetected based on the dimension

sample_path

A character path of the sample directory

pdata_path

Path from sample_path to the preprocessed data

all_components

If FALSE load only the real component. Otherwise load the real and imaginary components

read_pdata_title

If TRUE also reads metadata from pdata title file.

sample_names

A character vector with file or directory names.

Value

a nmr_dataset object

See also

read_bruker_pdata()

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

Examples

dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR")
dataset <- nmr_read_samples_dir(dir_to_demo_dataset)

dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR")
zip_files <- fs::dir_ls(dir_to_demo_dataset, glob = "*.zip")
dataset <- nmr_read_samples(sample_names = zip_files)