deisotope_spectrum

mscore::timstof::spectrum_processing

Function deisotope_spectrum 

Source 
pub fn deisotope_spectrum(
    mz: &[f64],
    intensity: &[f64],
    tolerance_ppm: f64,
) -> (Vec<f64>, Vec<f64>)
Expand description

Deisotope a spectrum by removing peaks that are likely isotopes of more intense peaks.

§Arguments

  • mz - m/z values (must be sorted in ascending order)
  • intensity - intensity values corresponding to m/z
  • tolerance_ppm - PPM tolerance for matching isotope peaks

§Returns

Tuple of (filtered_mz, filtered_intensity) with isotope peaks removed