trace_detectability_survey

Function trace_detectability_survey 

Source
pub fn trace_detectability_survey(
    config: &TraceDetectabilityConfig<'_>,
    trace_candidates: &[ResonanceData],
    trace_ppm: f64,
) -> Result<Vec<(String, TraceDetectabilityReport)>, PipelineError>
Expand description

Survey multiple trace candidates against a matrix (single or multi-isotope).

The matrix-only baseline transmission and instrument resolution are computed once and reused for all candidates. Each candidate is then evaluated in parallel with rayon.

§Preconditions

Same as trace_detectability, plus trace_candidates must be non-empty.

§Returns

Vec of (isotope_name, report) sorted by peak_snr descending.