Import spectra — import_spectra • tima

This function imports spectra from a file (.mgf or .sqlite)

Usage

import_spectra(
  file,
  cutoff = 0,
  dalton = 0.01,
  polarity = NA,
  ppm = 10,
  sanitize = TRUE
)

Arguments

file: File path of the spectrum file to be imported
cutoff: Absolute minimal intensity
dalton: Dalton tolerance
polarity: Polarity
ppm: PPM tolerance
sanitize: Flag indicating whether to sanitize. Default TRUE

Value

Spectra object containing the imported spectra

Examples

if (FALSE) { # \dontrun{
get_file(
  url = get_default_paths()$urls$examples$spectra_mini,
  export = get_default_paths()$data$source$spectra
)
import_spectra(file = get_default_paths()$data$source$spectra)
import_spectra(
  file = get_default_paths()$data$source$spectra,
  sanitize = FALSE
)
} # }