Function calculate_scan_occurrence_gaussian

pub fn calculate_scan_occurrence_gaussian(
    inverse_ion_mobility: &[f64],
    mean: f64,
    sigma: f64,
    target_p: f64,
    step_size: f64,
    n_lower_start: f64,
    n_upper_start: f64,
) -> Vec<i32>

Returns all scan indices (0-based) that fall into the range where Normal(mean, sigma) has at least target_p coverage.

For timsTOF data, inverse_ion_mobility runs backward (highest to lowest values correspond to scans).

Arguments

• inverse_ion_mobility: The inverse ion mobility values for all scans (descending order).
• mean: The mean of the Gaussian distribution.
• sigma: The standard deviation of the Gaussian distribution.
• target_p: The target probability to capture.
• step_size: Step size for searching bounds.
• n_lower_start: Initial lower bound factor (relative to sigma).
• n_upper_start: Initial upper bound factor (relative to sigma).

Returns

A Vec<usize> containing all scan indices (0-based) within the computed range.

Example

use mscore::algorithm::utility::calculate_scan_occurrence_gaussian;

let inverse_ion_mobility = vec![0.6, 0.7, 0.8, 0.9, 1.0, 1.1, 1.2, 1.3];
let scans = calculate_scan_occurrence_gaussian(
    &inverse_ion_mobility,
    1.1,  // mean
    0.001,  // sigma
    0.9999, // target probability
    0.01, // step size
    3.0,  // n_lower_start
    3.0   // n_upper_start
);

assert_eq!(scans, vec![2]); // Scans corresponding to 1.3 ± 1σ