SimpleFeatureParams

rustdf::cluster::feature

Struct SimpleFeatureParams 

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pub struct SimpleFeatureParams {
    pub z_min: u8,
    pub z_max: u8,
    pub iso_ppm_tol: f32,
    pub iso_abs_da: f32,
    pub min_members: usize,
    pub max_members: usize,
    pub min_raw_sum: f32,
    pub min_mz: f32,
    pub min_rt_overlap_frac: f32,
    pub min_im_overlap_frac: f32,
    pub min_cosine: f32,
    pub w_spacing_penalty: f32,
}

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§z_min: u8§z_max: u8§iso_ppm_tol: f32§iso_abs_da: f32§min_members: usize§max_members: usize§min_raw_sum: f32§min_mz: f32§min_rt_overlap_frac: f32§min_im_overlap_frac: f32§min_cosine: f32

If > 0 and LUT is provided, chains with cosine < min_cosine are dropped.

§w_spacing_penalty: f32

Weight for spacing penalty (0.0 = disabled, higher = penalize bad spacing more).

Penalty is computed as average |Δmz_observed - Δmz_theory(z)| in units of tolerance (i.e. divided by iso_tolerance_da(mid_mz)), then multiplied by this weight and subtracted from the raw_sum-based chain score.

Trait Implementations§

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impl Clone for SimpleFeatureParams

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fn clone(&self) -> SimpleFeatureParams

Returns a duplicate of the value. Read more
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fn clone_from(&mut self, source: &Self)

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

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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 SimpleFeatureParams

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fn default() -> Self

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

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