| 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 |