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Fix issue with subset-based peakGroups alignment and other updates #703
Commits on Nov 22, 2023
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Commits on Nov 24, 2023
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fix: adapt to Spectra 1.13.2 with chunk-wise processing
- Ensure to disable chunk-wise processing for all peaksData calls by passing parameter f = factor().
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Commits on Nov 27, 2023
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feat: add filterMsLevel method for MsExperiment and XcmsExperiment
- Add the `filterMsLevel` methods for `MsExperiment` and `XcmsExperiment`.
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Commits on Nov 28, 2023
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refactor: split PeakGroups alignment function
- Split the PeakGroups alignment function to enable alignment using a predefined peak matrix.
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Commits on Nov 29, 2023
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fix: minFraction not correctly used for subset-based peakGroups
- Fix issue #702 to ensure peakGroups subset-based alignment correctly uses the `minFraction` parameter. - Split the code for peakGroups-based alignment to enable alignment using externally defined retention time matrix of anchor peaks.
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Commits on Nov 30, 2023
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fix: ensure ms_level column in chromPeaksData is integer
- Ensure the "ms_level" column in the `chromPeaksData` is of type `integer` to avoid obscure validity errors on extracted `Chromatogram` objects (happening randomly).
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refactor: allow peakGroups alignment using prefefined anchor matrix
- Support alignment with the peakGroups method using a predefined anchor matrix.
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Commits on Dec 1, 2023
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fix: fix the internal .match_last function
- `.match_last` was returning a wrong result if used with `nomatch = -1`. This affected removing or adding elements to the processHistory during xcms preprocessing.
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refactor: throw error for adjustRtime with alignment results
- Throw an error for `adjustRtime` if alignment results are already present.
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Commits on Dec 4, 2023
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Commits on Dec 6, 2023
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