groupPEAKS_paral: Perform peak-picking and grouping into Extracted Chemical...

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

Description

Function enabes parallel or serial implementation of peak-picking and grouping. This function is called from inside groupPEAKS, for each sample in the experiment separately. Function is a wrapper for multiple individual raw file processing steps, which depend on MSnbase functionality. To overcome raw file reading into memory issues associated with MacOS, each function is within a while and try loop.

Usage

groupPEAKS_paral(f, out_dir, cwt, thr)

Arguments

f	character specifying absolute path to a single mzML/CDF file.
out_dir	character specifying absolute path to directory for output.
cwt	CentWaveParam class object with parameters for peak-picking. Object can be created by the xcms::CentWaveParam function.
thr	numeric defining Pearson correlation coefficient threshold, above which peak pairs will be considered as correlated.

Value

Function returns a list with filename, status and error message (deafult is NULL, gets overwritten by tryCatch is function fails).

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