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TimsTofSyntheticsPrecursorFrameBuilder

rustdf::sim::precursor

Struct TimsTofSyntheticsPrecursorFrameBuilder 

Source 
pub struct TimsTofSyntheticsPrecursorFrameBuilder {
    pub ions: BTreeMap<u32, Vec<IonSim>>,
    pub peptides: BTreeMap<u32, PeptidesSim>,
    pub scans: Vec<ScansSim>,
    pub frames: Vec<FramesSim>,
    pub precursor_frame_id_set: HashSet<u32>,
    pub frame_to_abundances: BTreeMap<u32, (Vec<u32>, Vec<f32>)>,
    pub peptide_to_ions: BTreeMap<u32, (Vec<f32>, Vec<Vec<u32>>, Vec<Vec<f32>>, Vec<i8>, Vec<MzSpectrum>)>,
    pub frame_to_rt: BTreeMap<u32, f32>,
    pub scan_to_mobility: BTreeMap<u32, f32>,
    pub peptide_to_events: BTreeMap<u32, f32>,
    pub ion_id_to_peptide_charge: BTreeMap<u32, (u32, i8)>,
}

Fields§

§ions: BTreeMap<u32, Vec<IonSim>>§peptides: BTreeMap<u32, PeptidesSim>§scans: Vec<ScansSim>§frames: Vec<FramesSim>§precursor_frame_id_set: HashSet<u32>§frame_to_abundances: BTreeMap<u32, (Vec<u32>, Vec<f32>)>§peptide_to_ions: BTreeMap<u32, (Vec<f32>, Vec<Vec<u32>>, Vec<Vec<f32>>, Vec<i8>, Vec<MzSpectrum>)>§frame_to_rt: BTreeMap<u32, f32>§scan_to_mobility: BTreeMap<u32, f32>§peptide_to_events: BTreeMap<u32, f32>§ion_id_to_peptide_charge: BTreeMap<u32, (u32, i8)>

Mapping from ion_id to (peptide_id, charge) for DDA precursor lookup

Implementations§

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impl TimsTofSyntheticsPrecursorFrameBuilder

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pub fn new(path: &Path) -> Result<Self>

Create a new instance of TimsTofSynthetics

§Arguments
  • path - A reference to a Path
§Returns
  • A Result containing the TimsTofSynthetics instance
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pub fn build_precursor_frame( &self, frame_id: u32, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, right_drag: bool, ) -> TimsFrame

Build a precursor frame

§Arguments
  • frame_id - A u32 representing the frame id
§Returns
  • A TimsFrame instance
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pub fn build_precursor_frames( &self, frame_ids: Vec<u32>, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, right_drag: bool, num_threads: usize, ) -> Vec<TimsFrame>

Build a collection of precursor frames in parallel

§Arguments
  • frame_ids - A vector of u32 representing the frame ids
  • num_threads - A usize representing the number of threads
§Returns
  • A vector of TimsFrame instances
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pub fn build_precursor_frame_annotated( &self, frame_id: u32, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, right_drag: bool, ) -> TimsFrameAnnotated

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pub fn build_precursor_frames_annotated( &self, frame_ids: Vec<u32>, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, right_drag: bool, num_threads: usize, ) -> Vec<TimsFrameAnnotated>

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