mscore::algorithm::isotope

Function iso

Source
pub fn iso(
    x: &Vec<f64>,
    mass: f64,
    charge: f64,
    sigma: f64,
    amp: f64,
    k: usize,
    step_size: f64,
) -> Vec<f64>
Expand description

calculate the isotope pattern for a given mass and charge based on the averagine model using the normal distribution for peak shapes

Arguments:

  • x - list of m/z values to probe
  • mass - mass of the peptide
  • charge - charge of the peptide
  • sigma - standard deviation of the normal distribution
  • amp - amplitude of the isotope pattern
  • k - number of isotopes to consider
  • step_size - step size for the m/z values to probe

Returns:

  • Vec<f64> - isotope pattern