TargetMsMsProcessing: TargetMsMsProcessing

In JustinZZW/ImmsTools: Some tools for ion mobility mass spectrometry data processing

Description

TargetMsMsProcessing

Usage

TargetMsMsProcessing(msms_file = "L0656_H_pos_10ppm.mzXML",
  root_path = ".", polarity = NULL, adduct = NULL,
  concentration = NULL, mode = c("SPMCE", "MPSCE", "SPSCE"),
  ce_levels = c("CE10", "CE20", "CE40"))

Arguments

msms_file	mzXML file format
root_path	Default: '.'
polarity	'positive', 'negative'. If it is not given (NULL), it would be extracted from msms_file name. Default: NULL
adduct	If it is not given (NULL), it would be extracted from msms_file name. Default: NULL
concentration	If it is not given (NULL), it would be extracted from msms_file name. Default: NULL
mode	SPMCE: single precursor with multiple CEs; MPSCE: multiple precursors, but single CE for each precursor; SPSCE: single precursor with one CE;
ce_levels	collison energy. Default: c("CE10", "CE20", "CE40")

Author(s)

Zhiwei Zhou

Examples

setwd('F:/01 MetIMMS/00 data processing/190702 extract msms spectra from targeted 6560 data/convert_msms')
# Standard
TargetMsMsProcessing(msms_file = "L0656_H_pos_10ppm.mzXML", root_path = '..', mode = 'SPMCE', ce_levels = c("CE10", "CE20", "CE40"))
# QC
TargetMsMsProcessing(msms_file = "QC00.mzXML", root_path = '..', polarity = 'Positive', adduct = '[M+H]+', concentration = '10ppm',mode = 'MPMCE', ce_levels = c("CE20", "CE40"))

JustinZZW/ImmsTools documentation built on July 9, 2019, 9:32 a.m.