Function generate_averagine_spectra

pub fn generate_averagine_spectra(
    masses: Vec<f64>,
    charges: Vec<i32>,
    min_intensity: i32,
    k: i32,
    resolution: i32,
    centroid: bool,
    num_threads: usize,
    amp: Option<f64>,
) -> Vec<MzSpectrum>

generate the averagine spectra for a given list of masses and charges using multiple threads

Arguments:

• masses - list of masses of the peptides
• charges - list of charges of the peptides
• min_intensity - minimum intensity for a peak to be included in the result
• k - number of isotopes to consider
• resolution - resolution of the isotope pattern
• centroid - whether to centroid the spectrum
• num_threads - number of threads to use
• amp - amplitude of the isotope pattern

Returns:

• Vec<MzSpectrum> - list of averagine spectra

Examples

use mscore::algorithm::isotope::generate_averagine_spectra;

let masses = vec![3000.0, 3000.0];
let charges = vec![2, 3];
let spectra = generate_averagine_spectra(masses, charges, 1, 10, 3, true, 4, None);