mscore::algorithm::isotope

Function generate_precursor_spectrum

Source
pub fn generate_precursor_spectrum(
    sequence: &str,
    charge: i32,
    peptide_id: Option<i32>,
) -> MzSpectrum
Expand description

generate the precursor spectrum for a given peptide sequence and charge using isotope convolutions

Arguments:

  • sequence - peptide sequence
  • charge - charge of the peptide

Returns:

  • MzSpectrum - precursor spectrum