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