All functions

calculatePeakCharacteristics(<cpc_chrom>)

Internal method for calculation of the peak characteristics

characterize_xcms_peaklist()

Wrapper function for characterization of the peaks detected by XCMS

checkPeaksAgainstCriteria(<cpc>)

Method that check each peak in the XCMS object against the criteria specified by the user in the *cpcProcParam* object

chromFromTrace()

Create a cpc_chrom object from a chromatogram trace

cpc-class

cpc class

getPeaklist(<cpc>) cpt(<cpc>) getProcData(<cpc>) `setProcData<-`(<cpc>) `setProcData<-`(<cpc>) getProcParams(<cpc>) getParam(<cpc>) `setParam<-`(<cpc>) parsePeaklist(<cpc>) getChromatogram(<cpc>) processPeaks(<cpc>) getFilterOutcomes(<cpc>) filterPeaks(<cpc>) getOriginalXCMS(<cpc>) getFilteredXCMS(<cpc>) getRemovedPeaks(<cpc>) getRetainedPeaks(<cpc>) show(<cpc>)

Getter method for the parsed peak table in a cpc object

cpc-package

Comprehensive Peak Characterization of LC/GC-MS Data

cpcChromParam-class

Class cpcChromParam

cpcChromParam()

Constructor for a cpcChromParam object

`setParam<-`(<cpcParam>) getParam(<cpcParam>)

Setter method for the parameter slot

cpcProcParam-class

Class cpcProcParam

cpcProcParam()

Constructor for a cpcProcParam object

cpc_chrom-class

Class used to process an XIC and calculate peak characteristics

getProcData(<cpc_chrom>) `setProcData<-`(<cpc_chrom>) plotPeak(<cpc_chrom>) processChromatogram(<cpc_chrom>)

Getter method for the procData slot

cpc_raw-class

Class for handling the MS raw data backend

`cpt<-`(<cpc>)

Setter method for the cpt slot in a cpc object

fast_match()

Matches a vector of integers in a second vector of integers

filePaths(<cpc>)

Getter for the procData$file_paths slot in a cpc object

filter_xcms_peaklist()

Wrapper function for filter the peaks detected by XCMS

filteredObject(<cpc>)

Getter method that returns the filtered XCMSnExp object.

getMzRange(<cpc_chrom>)

Getter for mz range parameter

getProcParams(<cpc_chrom>)

Getter method for the procParams slot

getResults(<cpc_chrom>)

Getter method for the results slot

getXIC(<cpc_raw>)

Method to generate an XIC from a cpc_raw object

hasCharacterizedPeakTable(<cpc>)

Method to check if a cpc object has a characterized peaktable

hasPeakTable(<cpc>)

Method to check if a cpc object has a parsed peaktable

parseMz(<cpc_raw>)

Parsing method for the MS raw data contained in the specified file

peaksToKeep(<cpc>)

Method to generate an idx vector of peaks that pass the filter criteria after peak characterization.

plotPeaks()

Plotting of characterized peaks

process_chromatogram()

Rcpp wrapper that calls the C++ chromatogram processing framework

scantime(<cpc_raw>)

Getter method for the scantime vector in a cpc_raw object

`setPeaklist<-`(<cpc>)

Setter method for the parsed peak table in a cpc object

`setProcParams<-`(<cpc>)

Setter method for the procParams slot

`setProcParams<-`(<cpc_chrom>)

Setter method for the procParams slot

`setResults<-`(<cpc_chrom>)

Setter method for the results slot

`setXIC<-`(<cpc_chrom>)

Setter method for the XIC slot

show(<cpcParam>)

Show method for the cpcParam object

smoothChromatogram(<cpc_chrom>)

Method for calculating smoothed XICs in a cpc_chrom object.

xdObj(<cpc>)

Getter method for the XCMSnExp object contained in a cpc object

`xdObj<-`(<cpc>)

Setter method for the XCMSnExp object slot in a cpc object