buildTMP: Build a sample alignment and annotation template

In lauzikaite/massFlowR: LC-MS Data Pre-Processing

Description

Functions builds a massFlowTemplate class object, which stores study sample information.

Usage

buildTMP(
  file = NULL,
  out_dir = NULL,
  mz_err = 0.01,
  rt_err = 2,
  bins = 0.05,
  cutoff = 0,
  realtime = FALSE
)

Arguments

file	character for absolute path to the csv file, specifying samples filenames and their acquisition order.
out_dir	character specifying desired directory for output.
mz_err	numeric specifying the window for peak matching in the MZ dimension. Default set to 0.01.
rt_err	numeric specifying the window for peak matching in the RT dimension. Default set to 2 (sec).
bins	numeric defying step size used in component's spectra binning and vector generation. Step size represents MZ dimension (default set to 0.05).
cutoff	numeric for spectra similarity score threshold, set to 0 by default.
realtime	logical whether real-time implementation is required. If set to TRUE, alignment will wait for intermediate peakgroups files to be written.

Value

A massFlowTemplate class object.

lauzikaite/massFlowR documentation built on April 29, 2020, 9:45 a.m.