getSpectraMatchScore: getSpectraMatchScore

In tidymass/tinytools: All the usefull tools for MS data processing and analysis

Description

getSpectraMatchScore

Usage

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)

tidymass/tinytools documentation built on Jan. 2, 2022, 5:18 p.m.