annotate | Automatic deconvolution/annotation of LC/ESI-MS data |
annotate-method | Automatic deconvolution/annotation of LC/ESI-MS data |
annotateDiffreport | Automatic deconvolution/annotation of LC/ESI-MS data |
annotateDiffreport,xsAnnotate-methods | Automatic deconvolution/annotation of LC/ESI-MS data |
calcCaS | EIC correlation grouping of LC/ESI-MS data |
calcCaS-method | EIC correlation grouping of LC/ESI-MS data |
calcCiS | Calculate peak distance matrix after EIC correlation |
calcCiS-method | Calculate peak distance matrix after EIC correlation |
calcIsotopes | Calculate isotope distance matrix from xsAnnotate object |
calcIsotopes-method | Calculate isotope distance matrix from xsAnnotate object |
calcPC | Peakclustering into pseudospectra according to a distance matrix |
calcPC-method | Peakclustering into pseudospectra according to a distance matrix |
calcPC.hcs | Peakclustering into pseudospectra with the highly connected subgraphs approach |
calcPC.hcs-method | Peakclustering into pseudospectra with the highly connected subgraphs approach |
calcPC.lpc | Peakclustering into pseudospectra with the label-propagation-community algorithm |
calcPC.lpc-method | Peakclustering into pseudospectra with the label-propagation-community algorithm |
class:ruleSet | Class 'ruleSet' |
cleanParallel | Cleans up with spawned slave processes after use |
combinexsAnnos | Check CAMERA ion species annotation due to matching with opposite ion mode |
findAdducts | Calculate Adducts and Annotate LC/ESI-MS Spectra |
findAdducts-method | Calculate Adducts and Annotate LC/ESI-MS Spectra |
findIsotopes | Deconvolute/Annotate LC/ESI-MS data |
findIsotopes-method | Deconvolute/Annotate LC/ESI-MS data |
findKendrickMasses | Find specfic mass defects using Kendrick mass scales |
findNeutralLoss | Find pseudospectra that contains a specific neutral loss |
findNeutralLossSpecs | Find pseudospectra that contains a specific neutral loss |
generateRules | Class 'ruleSet' |
generateRules-method | Class 'ruleSet' |
getAllPeakEICs | Generate EIC information from raw data |
getAllPeakEICs-method | Generate EIC information from raw data |
getIsotopeCluster | Retrieve the annotatad isotopes |
getPeaklist | Generate the annotatad peaklist |
getPeaklist-method | Generate the annotatad peaklist |
getpspectra | Retrieve a peaklist of one or more pseudospectra |
groupCorr | EIC correlation grouping of LC/ESI-MS data |
groupCorr-method | EIC correlation grouping of LC/ESI-MS data |
groupDen | Density-Grouping of LC/ESI-MS data |
groupDen-method | Density-Grouping of LC/ESI-MS data |
groupFWHM | FWHM-Grouping of LC/ESI-MS data |
groupFWHM-method | FWHM-Grouping of LC/ESI-MS data |
mm14 | Extract of marker mixture 14 LC/MS data |
plotEICs | Plot extracted ion chromatograms from (multiple) Pseudospectra |
plotEICs-method | Plot extracted ion chromatograms from (multiple) Pseudospectra |
plotEICs.xsAnnotate | Plot extracted ion chromatograms from (multiple) Pseudospectra |
plotPsSpectrum | Plot a Pseudospectrum |
plotPsSpectrum-method | Plot a Pseudospectrum |
plotPsSpectrum.xsAnnotate | Plot a Pseudospectrum |
psDist | Distance methods for xsAnnotate |
psDist-method | Distance methods for xsAnnotate |
psDist-methods | Distance methods for xsAnnotate |
pspec2metfrag | Export the putative fragments as MetFrag query files |
pspec2metfusion | Export the putative fragments as MetFrag query files |
readLists | Class 'ruleSet' |
readLists-method | Class 'ruleSet' |
ruleSet-class | Class 'ruleSet' |
setDefaultLists | Class 'ruleSet' |
setDefaultLists-method | Class 'ruleSet' |
setDefaultParams | Class 'ruleSet' |
setDefaultParams-method | Class 'ruleSet' |
setParams | Class 'ruleSet' |
setParams-method | Class 'ruleSet' |
show-method | Class 'ruleSet' |
show-method | Class xsAnnotate, a class for annotated peak data |
xsAnnotate | xsAnnotate constructor for an provided xcmsSet object |
xsAnnotate-class | Class xsAnnotate, a class for annotated peak data |