PreprocessedSpectrum

mscore::timstof::spectrum_processing

Struct PreprocessedSpectrum 

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pub struct PreprocessedSpectrum {
    pub spec_id: String,
    pub precursor_mz: f64,
    pub precursor_charge: Option<i32>,
    pub precursor_intensity: f64,
    pub inverse_ion_mobility: f64,
    pub collision_energy: f64,
    pub scan_start_time: f64,
    pub total_ion_current: f64,
    pub mz: Vec<f32>,
    pub intensity: Vec<f32>,
    pub isolation_mz: f64,
    pub isolation_width: f64,
}
Expand description

Represents a fully preprocessed spectrum ready for database search

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§spec_id: String

Unique spectrum identifier (e.g., “frame_id-precursor_id-dataset_name”)

§precursor_mz: f64

Precursor m/z value (monoisotopic if available, otherwise highest intensity)

§precursor_charge: Option<i32>

Precursor charge (optional)

§precursor_intensity: f64

Precursor intensity

§inverse_ion_mobility: f64

Inverse ion mobility (1/K0)

§collision_energy: f64

Collision energy used for fragmentation

§scan_start_time: f64

Scan start time / retention time in minutes

§total_ion_current: f64

Total ion current of the spectrum

§mz: Vec<f32>

Fragment neutral mass values (as f32 for Sage compatibility) Note: These are neutral masses (m/z - proton mass), matching Sage’s Peak representation

§intensity: Vec<f32>

Fragment intensity values (as f32 for Sage compatibility)

§isolation_mz: f64

Isolation m/z window center

§isolation_width: f64

Isolation window width

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impl PreprocessedSpectrum

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pub fn new( spec_id: String, precursor_mz: f64, precursor_charge: Option<i32>, precursor_intensity: f64, inverse_ion_mobility: f64, collision_energy: f64, scan_start_time: f64, total_ion_current: f64, mz: Vec<f32>, intensity: Vec<f32>, isolation_mz: f64, isolation_width: f64, ) -> Self

Trait Implementations§

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impl Clone for PreprocessedSpectrum

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fn clone(&self) -> PreprocessedSpectrum

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 PreprocessedSpectrum

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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<'de> Deserialize<'de> for PreprocessedSpectrum

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fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
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impl Serialize for PreprocessedSpectrum

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fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>
where __S: Serializer,

Serialize this value into the given Serde serializer. Read more

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🔬This is a nightly-only experimental API. (clone_to_uninit)
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