maldipickr (version 1.3.1)

check_spectra: Evaluate the spectra regularities

Description

Assess whether all the spectra in the list are not empty, of the same length and correspond to profile data.

Usage

check_spectra(spectra_list, tolerance = sqrt(.Machine$double.eps))

Value

A list of logical vectors of length spectra_list indicating if the spectra are empty (is_empty), of an odd length (is_outlier_length) or not a profile spectra (is_not_regular).

Arguments

spectra_list

A list of MALDIquant::MassSpectrum objects

tolerance

A numeric indicating the accepted tolerance to the spectra length. The default value is the machine numerical precision and is close to 1.5e-8.

See Also

process_spectra

Examples

# Get an example directory of six Bruker MALDI Biotyper spectra
directory_biotyper_spectra <- system.file(
  "toy-species-spectra",
  package = "maldipickr"
)
# Import the six spectra
spectra_list <- import_biotyper_spectra(directory_biotyper_spectra)
# Display the list of checks, with FALSE where no anomaly is detected
check_spectra(spectra_list)
# The overall sanity can be checked with Reduce
Reduce(any, check_spectra(spectra_list)) # Should be FALSE