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Some updates and bug fixes #761

Merged
merged 7 commits into from
Aug 9, 2024
Merged

Some updates and bug fixes #761

merged 7 commits into from
Aug 9, 2024

Commits on Jul 30, 2024

  1. feat: support coercing from XcmsExperiment to XCMSnExp

    - Support coercing from `XcmsExperiment` to `XCMSnExp` using
      `setAs(object, "XCMSnExp")` (issue #752).
    jorainer committed Jul 30, 2024
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Commits on Jul 31, 2024

  1. refactor: change estimatePrecursorIntensity to a function

    - Change `estimatePrecursorIntensity()` to a method and add an implementation
      for `MsExperiment`.
    jorainer committed Jul 31, 2024
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Commits on Aug 1, 2024

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Commits on Aug 5, 2024

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Commits on Aug 6, 2024

  1. fix: issue #755

    - `chromatogram` with `msLevel = 2L` does by default extract chromatographic
      data of all MS2 spectra, independently of whether different m/z isolation
      windows were used. For data with isolation windows, the respective isolation
      window can be set/defined with the `isolationWindowTargetMz` parameter.
    - Update documentation to describe this behaviour better.
    jorainer committed Aug 6, 2024
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Commits on Aug 9, 2024

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