mscore::timstof::spectrum

Struct TimsSpectrum

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pub struct TimsSpectrum {
    pub frame_id: i32,
    pub scan: i32,
    pub retention_time: f64,
    pub mobility: f64,
    pub ms_type: MsType,
    pub spectrum: IndexedMzSpectrum,
}

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§frame_id: i32§scan: i32§retention_time: f64§mobility: f64§ms_type: MsType§spectrum: IndexedMzSpectrum

Implementations§

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impl TimsSpectrum

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pub fn new( frame_id: i32, scan_id: i32, retention_time: f64, mobility: f64, ms_type: MsType, spectrum: IndexedMzSpectrum, ) -> Self

Creates a new TimsSpectrum instance.

§Arguments
  • frame_id - index of frame in TDF raw file.
  • scan_id - index of scan in TDF raw file.
  • retention_time - The retention time in seconds.
  • mobility - The inverse ion mobility.
  • spectrum - A TOFMzSpectrum instance.
§Examples
use mscore::data::spectrum::{IndexedMzSpectrum, MsType};
use mscore::timstof::spectrum::{TimsSpectrum};

let spectrum = TimsSpectrum::new(1, 1, 100.0, 0.1, MsType::FragmentDda, IndexedMzSpectrum::new(vec![1000, 2000], vec![100.5, 200.5], vec![50.0, 60.0]));
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pub fn filter_ranged( &self, mz_min: f64, mz_max: f64, intensity_min: f64, intensity_max: f64, ) -> Self

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pub fn to_resolution(&self, resolution: i32) -> TimsSpectrum

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pub fn vectorized(&self, resolution: i32) -> TimsSpectrumVectorized

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pub fn to_windows( &self, window_length: f64, overlapping: bool, min_peaks: usize, min_intensity: f64, ) -> BTreeMap<i32, TimsSpectrum>

Trait Implementations§

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impl Add for TimsSpectrum

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type Output = TimsSpectrum

The resulting type after applying the + operator.
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fn add(self, other: Self) -> TimsSpectrum

Performs the + operation. Read more
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impl Clone for TimsSpectrum

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fn clone(&self) -> TimsSpectrum

Returns a duplicate of the value. Read more
1.0.0 · Source§

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

Performs copy-assignment from source. Read more
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impl Debug for TimsSpectrum

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

Formats the value using the given formatter. Read more
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impl Default for TimsSpectrum

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fn default() -> Self

Returns the “default value” for a type. Read more
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impl Display for TimsSpectrum

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

Formats the value using the given formatter. Read more

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