ProcessESI: Pre-process ESI-MS spectra.

In ManuelPerisDiaz/CysMpro: Mass Spectrometry-Based Structural Analysis of Metalloproteins

Description

Pre-processing and peak picking for ESI-MS spectra.

Usage

ProcessESI(
  file,
  amp.Th = 0.003,
  t1 = 300,
  t2 = 1800,
  norm = TRUE,
  QC1 = FALSE,
  QC2 = FALSE,
  comb = "comb3",
  SNR.Th = 2,
  plotDetection = FALSE,
  plotProcess = FALSE,
  plotOriginal = TRUE,
  xy = FALSE,
  dir = "C:"
)

Arguments

file	Experimental MS file.
amp.Th	Parameter controlling the peak detection.
t1	Select lower m/z limit.
t2	Select higher m/z limit.
norm	Normalize MS spectra. Default to TRUE.
QC1	Generate quality control type 1 plot. Default to FALSE.
QC2	Generate quality control type 2 plot. Default to FALSE.
comb	Select pre-processing method.
SNR.Th	Signal-to-noise ratio. Default to 3.
plotDetection	Plot detected peaks after peak picking. Default to FALSE.
plotProcess	Plot processed MS spectra. Default to FALSE.
plotOriginal	Plot raw MS spectra. Default to TRUE.
xy	MS spectra in xy file?. Default to FALSE.
dir	Directory where to save plots. Default to C:.

Value

Processed ESI-MS spectra.

ManuelPerisDiaz/CysMpro documentation built on Oct. 18, 2020, 6:44 a.m.