nmr_read_samples: Read NMR samples

In AlpsNMR: Automated spectraL Processing System for NMR

Description

These functions load samples from files and return a nmr_dataset.

Usage

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 that contains 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 to read_bruker_sample() for data loading
sample_names	A character vector with file or directory names.

Value

a nmr_dataset object

See Also

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

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)

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