MRMLinear


        require(mzkit);
                               

#' MRM Targeted Metabolomics
imports "MRMLinear" from "mz_quantify";

.NET clr function exports
as.data.frame.ionchromatogram	IonChromatogram: the raw data
as.data.frame.ionpair	IonPair: Data model for the MRM ion pair
as.data.frame.rtalignment	RTAlignment:
find_untargeted_ionpair	MRM-Ion Pair Finder is used to automatically and systematically define MRM transitions from untargeted metabolomics data. Our research group first introduced the concept of pseudotargeted metabolomics using the retention time locking GC-MS-selected ions monitoring in 2012. The pseudotargeted metabolomics method was extended to LC-MS in 2013. To define ion pairs automatically and systematically, the in-house software “Mul-tiple Reaction Monitoring-Ion Pair Finder (MRM-Ion Pair Finder)” was developed, which made defining of the MRM transitions for untargeted metabolic profiling easier and less time consuming. Recently, MRM-Ion Pair Finder was updated to version 2.0. The new version is more convenient, consumes less time and is also suitable for negative ion mode. And the function of MRM-Ion Pair Finder is also performed in R so that users have more options when using pseudotargeted method.
MRM.arguments	Create argument object for run MRM quantification.
MRM.rt_alignments
extract.ions	Extract ion peaks
extract_mrm	Extract ion peaks
extract_ionpairs	Extract all ion pairs information from the given rawdata file
extract.peakROI	Exact `regions of interested` based on the given ion pair as targets.
read.ion_pairs	Get ion pair definition data from a given table file.
isomerism.ion_pairs
as.ion_pairs	Convert any compatibale type as the ion pairs data object for MRM target selected.
read.reference	Read reference points
read.IS	Read the definition of internal standards
wiff.rawfiles	Create model of the MRM raw files
MRM.peak2	Get MRM ions peaks data from a given raw data file
MRM.peaks	Get MRM ions peaks data from a given raw data file
wiff.scan2	Scan the raw file data Get the peak area data of the metabolites in each given sample data files
wiff.scans	Scan the raw file data Get the peak area data of the metabolites in each given sample data files
linears	Create linear fitting based on the wiff raw scan data.
R2
sample.quantify2	Do sample quantify
sample.quantify	Do sample quantify

MRMLinear

Scan the raw file data

Scan the raw file data