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Using and understanding a Chromatograms object3 months ago
Introduction | Installation | The Chromatograms object | Available backends | Chromatographic peaks data | Chromatograms metadata | Creating Chromatograms objects | Access data from a Chromatograms object | peaksData | chromData | Lazy Processing and Parallelization | Processing queue | Parallelization | Changing backend type | Choosing the right backend | Plotting chromatograms from a Spectra object | Understanding Factorization | Re-factorizing after metadata changes | Extracting chromatographic regions of interest | Basic extraction by retention time | Extraction with m/z filtering (ChromBackendSpectra only) | Imputing missing values in chromatograms | Available imputation methods | Extrapolation vs. Interpolation | Example: Imputing an extracted ion chromatogram (EIC) | Selecting the right imputation method | Imputation in lazy evaluation pipelines | Comparing chromatograms | Comparing chromatograms within a single object | Comparing two Chromatograms objects | Comparing groups of chromatograms | Session information
Creating new ChromBackend classes for Chromatograms1 years ago
Introduction | What is a ChromBackend? | Conventions and definitions | Notes on parallel and chunk-wise processing | API | Required methods | dataStorage() | length() | backendInitialize() | chromVariables() | chromData() | peaksVariables() | peaksData() | [ | $ | backendMerge() | Data replacement methods | chromData<- | $<- | peaksData<- | Methods with available default implementations | backendParallelFactor() | chromIndex() | collisionEnergy() | dataOrigin(), dataOrigin<- | intensity(), intensity<- | isEmpty() | isReadOnly() | lengths() | msLevel(), msLevel<- | mz(), mz<- | mzMax(), mzMax<- | mzMin(), mzMin<-` | precursorMz(), precursorMz<- | precursorMzMax(), precursorMzMax<- | precursorMzMin(), precursorMzMin<- | productMz(), productMz<- | productMzMax(), productMzMax<- | productMzMin(), productMzMin<- | rtime(), rtime<- | split() | Session information