PerformDataInspect: PerformDataInspect

In xia-lab/OptiLCMS: Optimized LC-MS Spectra Processing

PerformDataInspect

Description

This functions provide a path for users to visually inspect their raw data before the data trimming so as to remove the dirty or significantly uneluted peaks.

Usage

PerformDataInspect(
  datapath = NULL,
  rt.range = c(0, 0),
  mz.range = c(0, 0),
  dimension = "3D",
  res = 100
)

Arguments

datapath	Character, the path of the raw MS data files (.mzXML, .CDF and .mzML) for the visual and intuitive data inspectation or the file folder (if only a folder path provided, the first file will be inspected).
rt.range	Numerics, a congregation of two values to define the lower and upper RT range (seconds) for users to inspect. This is an optional parameter, if absent, will display the MS of the whole RT range.
mz.range	Numerics, a congregation of two values to define the lower and upper mz range for users to inspect. This is an optional parameter, if absent, will display the MS of the whole mz range.
dimension	Character, the dimension for sample to display, including '2D' or '3D'. The default is '3D'.
res	Numeric, the resolution for data inspectation. The larger the value, the higher the resolution. The default value is 100. This value is usually clearly enough and also give consideration to the speed.

Value

will output a figure for viewing the data structure

Author(s)

Zhiqiang Pang [e-mail] Jeff Xia [e-mail] Mcgill University License: GNU GPL (>= 2)

Examples

## Get raw spectra files
DataFiles <- dir(system.file("mzData", package = "mtbls2"), full.names = TRUE,
                 recursive = TRUE)[c(10:12, 14:16)]
PerformDataInspect(DataFiles[1])

xia-lab/OptiLCMS documentation built on Nov. 6, 2024, 11:01 a.m.