Struct TimsTransmissionDDA 

pub struct TimsTransmissionDDA {
    pub pasef_meta: BTreeMap<i32, Vec<PASEFMeta>>,
    pub k: f64,
}

Fields

pasef_meta: BTreeMap<i32, Vec<PASEFMeta>>

k: f64

Implementations

impl TimsTransmissionDDA

pub fn new(pasef_meta: Vec<PASEFMeta>, k: Option<f64>) -> Self

pub fn get_collision_energy(&self, frame_id: i32, scan_id: i32) -> Option<f64>

pub fn get_selections_for_precursor(&self, precursor_id: i32) -> Vec<(i32, f64)>

Get all (frame_id, collision_energy) pairs where a specific precursor (ion_id) was selected. This uses the explicit precursor selection from pasef_meta rather than m/z matching.

Trait Implementations

impl Clone for TimsTransmissionDDA

fn clone(&self) -> TimsTransmissionDDA

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for TimsTransmissionDDA

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

Formats the value using the given formatter.

impl IonTransmission for TimsTransmissionDDA

fn apply_transmission( &self, frame_id: i32, scan_id: i32, mz: &Vec<f64>, ) -> Vec<f64>

fn transmit_spectrum( &self, frame_id: i32, scan_id: i32, spectrum: MzSpectrum, min_probability: Option<f64>, ) -> MzSpectrum

Transmit a spectrum given a frame id and scan id

fn transmit_annotated_spectrum( &self, frame_id: i32, scan_id: i32, spectrum: MzSpectrumAnnotated, min_probability: Option<f64>, ) -> MzSpectrumAnnotated

Transmit an annotated spectrum given a frame id and scan id

fn transmit_ion( &self, frame_ids: Vec<i32>, scan_ids: Vec<i32>, spec: MzSpectrum, min_proba: Option<f64>, ) -> Vec<Vec<MzSpectrum>>

fn get_transmission_set( &self, frame_id: i32, scan_id: i32, mz: &Vec<f64>, min_proba: Option<f64>, ) -> HashSet<usize>

Get all ions in a frame that are transmitted

fn all_transmitted( &self, frame_id: i32, scan_id: i32, mz: &Vec<f64>, min_proba: Option<f64>, ) -> bool

Check if all mz values in a given collection are transmitted

fn is_transmitted( &self, frame_id: i32, scan_id: i32, mz: f64, min_proba: Option<f64>, ) -> bool

Check if a single mz value is transmitted

fn any_transmitted( &self, frame_id: i32, scan_id: i32, mz: &Vec<f64>, min_proba: Option<f64>, ) -> bool

Check if any mz value is transmitted, can be used to check if one peak of isotopic envelope is transmitted

fn transmit_tims_frame( &self, frame: &TimsFrame, min_probability: Option<f64>, ) -> TimsFrame

Transmit a frame given a diaPASEF transmission layout

fn transmit_tims_frame_annotated( &self, frame: &TimsFrameAnnotated, min_probability: Option<f64>, ) -> TimsFrameAnnotated

Transmit a frame given a diaPASEF transmission layout with annotations

fn isotopes_transmitted( &self, frame_id: i32, scan_id: i32, mz_mono: f64, isotopic_envelope: &Vec<f64>, min_probability: Option<f64>, ) -> (f64, Vec<(f64, f64)>)