PerformParamsOptimization: Perform Parameters Optimization

In xia-lab/MetaboAnalystR3.0: An R Package for Comprehensive Analysis of Metabolomics Data

Description

This function is used to optimize the critical parameters of peak picking and alignment for the following data processing. It utilizes the trimed data and the internal instrument-specific parameters. Parallel computing will be performed. The number of cores user want to use could be specified.

Usage

PerformParamsOptimization(raw_data, param = p0, method = "DoE", ncore = 4)

Arguments

raw_data	MSnExp object, can be the (trimmed) data in memory produced by 'PerformDataTrimming' or the orignal data read by ImportRawMSData with 'inMemory" mode.
param	List, Parameters defined by 'SetPeakParam' function.
method	Character, method of parameters optimization, including "DoE' only. Default is "DoE". Other method is under development.
ncore	Numeric, CPU threads number used to perform the parallel based optimization. If thers is memory issue, please reduce the 'ncore' used here. For default, 2/3 CPU threads of total will be used.

Author(s)

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

xia-lab/MetaboAnalystR3.0 documentation built on May 6, 2020, 11:03 p.m.