CandidateOpts

rustdf::cluster::candidates

Struct CandidateOpts 

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pub struct CandidateOpts {
    pub min_rt_jaccard: f32,
    pub ms2_rt_guard_sec: f64,
    pub rt_bucket_width: f64,
    pub max_ms1_rt_span_sec: Option<f64>,
    pub max_ms2_rt_span_sec: Option<f64>,
    pub min_raw_sum: ThresholdMode,
    pub max_rt_apex_delta_sec: Option<f32>,
    pub max_scan_apex_delta: Option<usize>,
    pub min_im_overlap_scans: usize,
    pub reject_frag_inside_precursor_tile: bool,
}
Expand description

Options for the simple candidate enumeration. Rule = RT overlap (seconds) AND group eligibility (mz ∩ isolation AND scans ∩ program).

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§min_rt_jaccard: f32

Require at least this Jaccard in RT (set 0.0 for “any overlap”).

§ms2_rt_guard_sec: f64

Guard pad on MS2 time bounds (applied symmetrically), in seconds.

§rt_bucket_width: f64

RT bucket width (seconds).

§max_ms1_rt_span_sec: Option<f64>

Pre-filters to drop weird clusters.

§max_ms2_rt_span_sec: Option<f64>§min_raw_sum: ThresholdMode

Minimum intensity sum for a cluster to be considered. Use ThresholdMode::AdaptiveNoise(N) for N × noise (recommended), or ThresholdMode::Fixed(val) for a hard threshold.

§max_rt_apex_delta_sec: Option<f32>

Maximum allowed |rt_apex_MS1 - rt_apex_MS2| in seconds (None disables).

§max_scan_apex_delta: Option<usize>

Maximum allowed |im_apex_MS1 - im_apex_MS2| in global scans (None disables).

§min_im_overlap_scans: usize

Require at least this many scan-overlap between MS1 and MS2 IM windows.

§reject_frag_inside_precursor_tile: bool

If true, drop pairs where the fragment cluster’s own selection (mz, scan) lies inside the same DIA program slice that could select the precursor. This suppresses residual, unfragmented precursor intensity being treated as a fragment.

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impl CandidateOpts

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pub fn with_fixed_raw_sum(self, val: f32) -> Self

Create with a fixed raw_sum threshold (legacy behavior).

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pub fn with_adaptive_raw_sum(self, sigma_multiplier: f32) -> Self

Create with adaptive noise-based raw_sum threshold.

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pub fn legacy_defaults() -> Self

Legacy defaults (exact old behavior with min_raw_sum: 1.0).

Trait Implementations§

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impl Clone for CandidateOpts

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fn clone(&self) -> CandidateOpts

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 CandidateOpts

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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 CandidateOpts

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fn default() -> Self

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

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