import_spectra: Import spectra

In taxonomicallyinformedannotation/tima-r: Taxonomically Informed Metabolite Annotation

Import spectra

Description

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

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
)

taxonomicallyinformedannotation/tima-r documentation built on Nov. 20, 2024, 4:34 a.m.