nmr_read_samples: Read NMR samples

In sipss/AlpsNMR: Automated spectraL Processing System for NMR

Read NMR samples

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 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)

sipss/AlpsNMR documentation built on Aug. 13, 2024, 5:11 p.m.