Struct mzsignal::reprofile::PeakSetReprofiler

pub struct PeakSetReprofiler {
    pub mz_grid: Vec<f64>,
    pub mz_start: f64,
    pub mz_end: f64,
}

A probabilistic peak shape re-construction spectrum intensity averager over a shared m/z axis.

Fields

mz_grid: Vec<f64>

The evenly spaced m/z axis over which peaks are re-estimated

mz_start: f64

The lowest m/z in the spectrum. If an input spectrum has lower m/z values, they will be ignored.

mz_end: f64

The highest m/z in the spectrum. If an input spectrum has higher m/z values, they will be ignored.

Implementations

impl<'passing, 'transient: 'passing, 'lifespan: 'transient> PeakSetReprofiler

pub fn new(mz_start: f64, mz_end: f64, dx: f64) -> PeakSetReprofiler

pub fn build_peak_shape_models<T>( &self, peaks: &'lifespan [T], shape: PeakShape ) -> Vec<PeakShapeModel<'lifespan>>

where &'lifespan T: Into<PeakShapeModel<'lifespan>>,

Create an array of PeakShapeModels from an array of structs that can convert into them, using shape for the type of peak shape.

pub fn reprofile_from_models( &'lifespan self, models: &[PeakShapeModel<'transient>] ) -> ArrayPair<'lifespan>

Create a new spectrum from models over the shared m/z axis

pub fn reprofile<T: Into<PeakShapeModel<'transient>> + Clone>( &'lifespan self, peaks: &'lifespan [T] ) -> ArrayPair<'lifespan>

Create a new spectrum from peaks after creating PeakShapeModels of them over the shared m/z axis

pub fn reprofile_from_centroids<T>( &'lifespan self, peaks: &'lifespan [T], fwhm: f32 ) -> ArrayPair<'lifespan>

where T: AsPeakShapeModel<'passing, 'passing>,

Create a new spectrum from peaks after creating PeakShapeModels of them over the shared m/z axis using a uniform peak width parameter fwhm

Trait Implementations

impl Clone for PeakSetReprofiler

fn clone(&self) -> PeakSetReprofiler

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for PeakSetReprofiler

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for PeakSetReprofiler

fn default() -> PeakSetReprofiler

Returns the “default value” for a type.

impl MZGrid for PeakSetReprofiler

fn mz_grid(&self) -> &[f64]

fn create_intensity_array(&self) -> Vec<f32>

fn create_intensity_array_of_size(&self, size: usize) -> Vec<f32>

fn find_offset(&self, mz: f64) -> usize

fn points_between(&self, start_mz: f64, end_mz: f64) -> usize

fn copy_mz_array(&self) -> Vec<f64>