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@jonasscheid jonasscheid commented Sep 17, 2025

Added

  • Added a peptidoform column to the pipeline output #376
  • Added Boxplot of intensity distributions to the MulitQC report #382
  • Added a config option to hide outliers in box plots, add plot descriptions #387
  • Added a Fasta column to the input samplesheet to enable sample-specific FASTA files #391
  • Added a column for unique accessions to the pipeline output #403

Fixed

  • Fixed an issue with not providing the full process name in conf/base.config #384
  • Template update 3.1.1, migrate to nf-test #379
  • Fixed the binning of the TICs histogram and move the general stats table to the top of the report #388
  • Write out FDR-filtered peptide list in global FDR-mode, instead of 100% FDR list #394
  • Update labels for global FDR process configurations #397
  • Remove special character '#' from the header of OpenMS TextExporter output #403
  • Fixed an issue in the summary process that led the pipeline crash if deeplc was not specified #411

Dependencies

Dependency Old version New version
MultiQC 1.28.0 1.31.0
Nf-core 3.2.1 3.4.1
EasyPQP 0.1.51 0.1.53

PR checklist

  • This comment contains a description of changes (with reason).
  • If you've fixed a bug or added code that should be tested, add tests!
  • If you've added a new tool - have you followed the pipeline conventions in the contribution docs
  • If necessary, also make a PR on the nf-core/mhcquant branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core pipelines lint).
  • Ensure the test suite passes (nextflow run . -profile test,docker --outdir <OUTDIR>).
  • Check for unexpected warnings in debug mode (nextflow run . -profile debug,test,docker --outdir <OUTDIR>).
  • Usage Documentation in docs/usage.md is updated.
  • Output Documentation in docs/output.md is updated.
  • CHANGELOG.md is updated.
  • README.md is updated (including new tool citations and authors/contributors).

@Aratz Aratz self-requested a review November 4, 2025 07:35
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Nice work!

I left a few comments but I think for this release the most important ones are to fix the citations.

The other comments concern mostly tests and readability, and could also be addressed in a later release, I leave it up to you how you want to keep track of and address them :)

@rolivella rolivella self-requested a review November 6, 2025 07:46
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@jonasscheid very good job! Just only a few concerns and comments. :)

Co-authored-by: Adrien Coulier <[email protected]>
@Aratz Aratz self-requested a review November 19, 2025 13:37
jonasscheid and others added 4 commits November 19, 2025 16:34
Temporarily drop conda and epicore testing due to unstable CI tests.
Final adjustments to 3.1.0 Release
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9 participants