Different score for different row

yufongpeng · Jan 4, 2024 · d7659c4 · d7659c4
1 parent dd8c2ef
commit d7659c4
Showing 1 changed file with 6 additions and 7 deletions.
diff --git a/src/quantification.jl b/src/quantification.jl
@@ -50,13 +50,12 @@ function transition_matching!(data::MRM, project = nothing; rt_tol = 0.1, mz_tol
  id = findfirst(i -> between(mz1, i.mz1, mz_tol) && between(mz2, i.mz2, mz_tol) && between(mean(rt_correction(class(i.analyte), Table(ft; rtx = repeat([i.rt], length(ft)))) .- ft.rt), 0, rt_tol), method.analytetable)
  featuretable.match_id[i + 1:i + length(ft)] .= isnothing(id) ? repeat([0.0], length(ft)) : repeat([method.analytetable.id[id]], length(ft))
  featuretable.match_score[i + 1:i + length(ft)] .= isnothing(id) ? repeat([0.0], length(ft)) : 
- repeat(
- [
- ((method.analytetable.mz1[id] - mz1) / mz1) ^ 2 + 
- ((method.analytetable.mz2[id] - mz2) / mz2) ^ 2 + 
- (mean(rt_correction(class(method.analytetable.analyte[id]), Table(ft; rtx = repeat([method.analytetable.rt[id]], length(ft)))) .- ft.rt) / mean(ft.rt)) ^ 2
- ], length(ft)
- )
+ begin
+ mz1 = method.analytetable.mz1[id]
+ mz2 = method.analytetable.mz2[id]
+ rty = rt_correction(class(method.analytetable.analyte[id]), Table(ft; rtx = repeat([method.analytetable.rt[id]], length(ft))))
+ @. (ft.mz1 / mz1 - 1) ^ 2 + (ft.mz2 / mz2 - 1) ^ 2 + (ft.rt / rty - 1) ^ 2
+ end
  i += length(ft)
  end
  filter!(x -> x.match_id > 0, featuretable)