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 probemass- mass of the peptidecharge- charge of the peptidesigma- standard deviation of the normal distributionamp- amplitude of the isotope patternk- number of isotopes to considerstep_size- step size for the m/z values to probe
Returns:
Vec<f64>- isotope pattern