Struct SpectralAnalysis 

pub struct SpectralAnalysis;

Spectral processing and analysis utilities.

Implementations

impl SpectralAnalysis

pub fn find_peaks( record: &SpectrumRecord, window: usize, threshold: f64, ) -> Vec<PeakResult>

Find peaks in the Y array using a simple local-maximum criterion.

A point is a peak if it is strictly greater than its window neighbours on each side and above the given threshold.

pub fn als_baseline(y: &[f64], lam: f64, p: f64, iterations: usize) -> Vec<f64>

Asymmetric Least Squares (ALS) baseline correction.

Returns the corrected Y array (input Y minus estimated baseline).

Parameters

• y — input intensity array.
• lam — smoothing parameter (typically 1e4 – 1e7).
• p — asymmetry parameter (typically 0.001 – 0.1).
• iterations — number of ALS iterations (typically 10–30).

pub fn savitzky_golay(y: &[f64], window: SgWindow) -> Vec<f64>

Savitzky-Golay smoothing filter applied to Y values.

Uses a 2nd-order polynomial over the given window. Returns the smoothed Y array (same length as input).

pub fn moving_average(y: &[f64], half_window: usize) -> Vec<f64>

Simple moving-average smoothing.

The output at index i is the average of y[i-half..=i+half]. Boundary points are left unchanged.

pub fn derivative(record: &SpectrumRecord) -> Vec<f64>

Compute the first derivative of Y with respect to X using central differences.

Boundary points use one-sided differences.

pub fn integrate(record: &SpectrumRecord, x_start: f64, x_end: f64) -> f64

Integrate the spectrum using the trapezoidal rule between x_start and x_end.