build_pseudo_spectra_all_pairs

rustdf::cluster::candidates

Function build_pseudo_spectra_all_pairs 

Source 
pub fn build_pseudo_spectra_all_pairs(
    ds: &TimsDatasetDIA,
    ms1: &[ClusterResult1D],
    ms2: &[ClusterResult1D],
    features: Option<&[SimpleFeature]>,
    pseudo_opts: &PseudoSpecOpts,
) -> PseudoBuildResult
Expand description

NON-COMPETITIVE builder: mainly for debugging / exploration.

Links all MS1–MS2 pairs that

  • are program-legal (same window group, isolation & scans),
  • satisfy candidate guards (RT/IM overlap etc.), and then groups them into pseudo-spectra without any competition.

CONSEQUENCES:

  • An MS2 cluster may contribute to multiple precursors.
  • assignment.ms2_best_ms1 is left as None for all MS2 indices.
  • assignment.ms1_to_ms2[i] contains all MS2 indices linked to MS1 i.
  • Use build_pseudo_spectra_end_to_end{,_xic} for competitive, 1:1 assignment.