| annotateDiffreport | Automatic deconvolution/annotation of LC/ESI-MS data |
| annotate-methods | Automatic deconvolution/annotation of LC/ESI-MS data |
| calcCaS-methods | EIC correlation grouping of LC/ESI-MS data |
| calcCiS-methods | Calculate peak distance matrix after EIC correlation |
| calcIsotopes-methods | Calculate isotope distance matrix from xsAnnotate object |
| calcPC.hcs-methods | Peakclustering into pseudospectra with the highly connected... |
| calcPC.lpc-methods | Peakclustering into pseudospectra with the... |
| calcPC-methods | Peakclustering into pseudospectra according to a distance... |
| cleanParallel | Cleans up with spawned slave processes after use |
| combinexsAnnos | Check CAMERA ion species annotation due to matching with... |
| compoundLibraries | The supported compound databases |
| compoundQuantiles | compoundQuantiles constructor |
| compoundQuantiles-class | Class compoundQuantiles encapsulates compound statistics from... |
| findAdducts-methods | Calculate Adducts and Annotate LC/ESI-MS Spectra |
| findIsotopes-methods | Deconvolute/Annotate LC/ESI-MS data |
| findIsotopesWithValidation-methods | 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 |
| getAllPeakEICs-methods | Generate EIC information from raw data |
| getAtomCount-compoundQuantiles-method | The number of atoms of the given element |
| getIsotopeCluster | Retrieve the annotatad isotopes |
| getIsotopeProportion-compoundQuantiles-method | The proportion of the intensities of two isotope peaks |
| getPeaklist-methods | Generate the annotatad peaklist |
| getpspectra | Retrieve a peaklist of one or more pseudospectra |
| getReducedPeaklist-methods | Generate reduced peaklist from the annotatad peaklist |
| groupCorr-methods | EIC correlation grouping of LC/ESI-MS data |
| groupDen-methods | Density-Grouping of LC/ESI-MS data |
| groupFWHM-methods | FWHM-Grouping of LC/ESI-MS data |
| massWindowSizes | The supported mass window sizes |
| mm14 | Extract of marker mixture 14 LC/MS data |
| plotEIC.xsAnnotate | Plot extracted ion chromatograms from (multiple)... |
| plotPsSpectrum.xsAnnotate | Plot a Pseudospectrum |
| psDist-methods | Distance methods for xsAnnotate |
| pspec2metfrag | Export the putative fragments as MetFrag query files |
| ruleSet-class | Class 'ruleSet' |
| xsAnnotate | xsAnnotate constructor for an provided xcmsSet object |
| xsAnnotate-class | Class xsAnnotate, a class for annotated peak data |
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