getSpectraMatchScore — getSpectraMatchScore • masstools

getSpectraMatchScore

getSpectraMatchScore(
  exp.spectrum,
  lib.spectrum,
  ppm.tol = 30,
  mz.ppm.thr = 400,
  fraction.weight = 0.2,
  dp.forward.weight = 0.7,
  dp.reverse.weight = 0.1
)

Arguments

exp.spectrum: exp.spectrum
lib.spectrum: lib.spectrum
ppm.tol: ppm.tol
mz.ppm.thr: mz.ppm.thr
fraction.weight: fraction.weight
dp.forward.weight: dp.forward.weight
dp.reverse.weight: dp.reverse.weight

Value

spectrum match score

Examples

exp.spectrum <- data.frame(mz = 1:10, intensity = 1:10)
lib.spectrum <- data.frame(mz = 1:10, intensity = 1:10)
getSpectraMatchScore(exp.spectrum, lib.spectrum)
#> Warning: `getSpectraMatchScore()` was deprecated in masstools 0.99.9.
#> Please use `get_spectra_match_score()` instead.
#> [1] 1