ProcessESI_Decon: Pre-process and deconvolved ESI-MS spectra with simulation...

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

Description

Pre-process and deconvolved ESI-MS spectra with simulation algorithm

Usage

ProcessESI_Decon(
  file,
  t1 = 300,
  t2 = 1800,
  norm = TRUE,
  comb = "none",
  plotDetection = FALSE,
  plotProcess = FALSE,
  plotOriginal = TRUE,
  xy = FALSE,
  dir = "C:",
  chargemin = 1,
  chargemax = 8,
  maxMass = 8000,
  minMass = 5000,
  FWHM = 2,
  interval = 5,
  Wa = 0.5,
  top = 100,
  SNR.Th = 2
)

Arguments

file	Experimental MS file.
t1	Select lower m/z limit.
t2	Select higher m/z limit.
norm	Normalize MS spectra. Default to TRUE.
comb	Select pre-processing method.
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:.
chargemin	Minimum charge state
chargemax	Maximum charge state
maxMass	Maximum mass deconvoluted
minMass	minimum mass deconvoluted
FWHM	FWHM for deconvolution
interval	mass interval for deconvolution
Wa	mass error for deconvolution
top	Top peaks selected for deconvolution
SNR.Th	Signal-to-noise ratio. Default to 3.

Value

Processed and deconvolved ESI-MS spectra.

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