Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Fix issue with subset-based peakGroups alignment and other updates #703

Merged
merged 24 commits into from
Dec 6, 2023

Commits on Nov 22, 2023

  1. Configuration menu
    Copy the full SHA
    5af59ac View commit details
    Browse the repository at this point in the history

Commits on Nov 24, 2023

  1. 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().
    jorainer committed Nov 24, 2023
    Configuration menu
    Copy the full SHA
    d6b0198 View commit details
    Browse the repository at this point in the history

Commits on Nov 27, 2023

  1. feat: add filterMsLevel method for MsExperiment and XcmsExperiment

    - Add the `filterMsLevel` methods for `MsExperiment` and `XcmsExperiment`.
    jorainer committed Nov 27, 2023
    Configuration menu
    Copy the full SHA
    b397afe View commit details
    Browse the repository at this point in the history

Commits on Nov 28, 2023

  1. refactor: split PeakGroups alignment function

    - Split the PeakGroups alignment function to enable alignment using a predefined
      peak matrix.
    jorainer committed Nov 28, 2023
    Configuration menu
    Copy the full SHA
    0aa08aa View commit details
    Browse the repository at this point in the history

Commits on Nov 29, 2023

  1. 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.
    jorainer committed Nov 29, 2023
    Configuration menu
    Copy the full SHA
    9d5bdbf View commit details
    Browse the repository at this point in the history
  2. docs: fix documentation

    jorainer committed Nov 29, 2023
    Configuration menu
    Copy the full SHA
    3bbe249 View commit details
    Browse the repository at this point in the history
  3. Configuration menu
    Copy the full SHA
    f59fcad View commit details
    Browse the repository at this point in the history
  4. Configuration menu
    Copy the full SHA
    85cffad View commit details
    Browse the repository at this point in the history
  5. refactor: clean up code

    jorainer committed Nov 29, 2023
    Configuration menu
    Copy the full SHA
    9bba2e0 View commit details
    Browse the repository at this point in the history

Commits on Nov 30, 2023

  1. Configuration menu
    Copy the full SHA
    05d762e View commit details
    Browse the repository at this point in the history
  2. 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).
    jorainer committed Nov 30, 2023
    Configuration menu
    Copy the full SHA
    e06f7b8 View commit details
    Browse the repository at this point in the history
  3. refactor: allow peakGroups alignment using prefefined anchor matrix

    - Support alignment with the peakGroups method using a predefined anchor matrix.
    jorainer committed Nov 30, 2023
    Configuration menu
    Copy the full SHA
    a4b9765 View commit details
    Browse the repository at this point in the history
  4. docs: update NEWS

    jorainer committed Nov 30, 2023
    Configuration menu
    Copy the full SHA
    e414301 View commit details
    Browse the repository at this point in the history

Commits on Dec 1, 2023

  1. 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.
    jorainer committed Dec 1, 2023
    Configuration menu
    Copy the full SHA
    b0c2db0 View commit details
    Browse the repository at this point in the history
  2. Configuration menu
    Copy the full SHA
    66313e0 View commit details
    Browse the repository at this point in the history
  3. refactor: throw error for adjustRtime with alignment results

    - Throw an error for `adjustRtime` if alignment results are already present.
    jorainer committed Dec 1, 2023
    Configuration menu
    Copy the full SHA
    6f8d802 View commit details
    Browse the repository at this point in the history

Commits on Dec 4, 2023

  1. Configuration menu
    Copy the full SHA
    e0d016f View commit details
    Browse the repository at this point in the history
  2. Configuration menu
    Copy the full SHA
    b971898 View commit details
    Browse the repository at this point in the history
  3. ci: use R "devel" version

    jorainer committed Dec 4, 2023
    Configuration menu
    Copy the full SHA
    9976528 View commit details
    Browse the repository at this point in the history
  4. Configuration menu
    Copy the full SHA
    ad14489 View commit details
    Browse the repository at this point in the history
  5. Configuration menu
    Copy the full SHA
    9909f97 View commit details
    Browse the repository at this point in the history
  6. Configuration menu
    Copy the full SHA
    17d966f View commit details
    Browse the repository at this point in the history
  7. Configuration menu
    Copy the full SHA
    29cb234 View commit details
    Browse the repository at this point in the history

Commits on Dec 6, 2023

  1. Configuration menu
    Copy the full SHA
    6aea748 View commit details
    Browse the repository at this point in the history