ms2Score: Title Give MSMS Score.

In zhengfj1994/MetEx: Targeted extraction from untargeted metabolomics dataset by using metabolomics database

Title Give MSMS Score.

Description

Title Give MSMS Score.

Usage

ms2Score(
  ms2Act,
  ms2DB,
  ms2DeltaMZ,
  sn.threshold = 3,
  noise.intensity = "minimum",
  missing.value.padding,
  scoreMode
)

Arguments

ms2Act,	measured ms2
ms2DB,	ms2 in database
ms2DeltaMZ,	the tolerence between ms2Act and ms2DB
sn.threshold	The S/N threshold of MS2 spectrum.
noise.intensity	The intensity of noise of MS2 spectrum.
missing.value.padding	The missing value padding method of MS2.
scoreMode,	the mode of score, obverse, reverse or average

Value

scoreOfMS2

Examples

load(system.file("extdata/testData", "ms2ActTest.rda", package = "MetEx"))
load(system.file("extdata/testData", "ms2DBTest.rda", package = "MetEx"))
scoreOfMS2 <- ms2Score(ms2Act = ms2ActTest,
                       ms2DB = ms2DBTest,
                       ms2DeltaMZ=0.02,
                       sn.threshold = 3,
                       missing.value.padding = "minimal.value",
                       scoreMode='average')

zhengfj1994/MetEx documentation built on Nov. 19, 2023, 1:34 p.m.