GC-SIM-MS data processing and alaysis tool

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Documentation for package ‘SIMAT’ version 1.40.0

• DESCRIPTION file.
• User guides, package vignettes and other documentation.
• Package NEWS.

Help Pages

SIMAT-package	This package is for processing GC-SIM-MS data
getEIC	Get the EIC of a peak
getPeak	Get all peaks corresponding to targets in several runs
getPeakScore	Calculate the similarity score for all peaks
getRI	Generate a calibration function
getRIStandard	Get the RI standard information
getScore	Calculate similarity score for a peak
getTarget	Get target information
getTargetTable	Get target table information
Library	Extracted compound information from an MSL library.
optFrag	Fragment selection through optimization
plotEIC	Plotting EIC of one peak
plotTIC	Plotting TIC of one run
putTargetTable	Put target table information
readCDF	Read raw mass spectrometry data in netCDF files
readMSL	Read mass spectral library (MSL) files
RItable	Extracted RI standard information from a 'csv' file.
Run	Extracted peaks from one SIM run.
SIMAT	This package is for processing GC-SIM-MS data
target.table	Extracted target information from a 'csv' file.
Targets	Targets information in a list.
writeMSL	Write targets information into a file with mass spectral library (MSL) format.
writeResult	Write analysis results to file.