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Further speedup of diann conversion, prevent staging of un-needed fil…
…es and fixed mass calc Experimental/feature/bruker data
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Commits on Aug 17, 2023
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Experimental/bruker report (#2)
* added report info * split decompression step * Included ms1 TIC/BPC * added new data to report channel * added convert_dotd to the schema * fixed bug where passed mass accuracies were bypassed * code formatting
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Merge branch 'nf-core-template-merge-2.9' of https://github.com/nf-co…
…re/quantms into dev # Conflicts: # .github/workflows/awsfulltest.yml # .github/workflows/awstest.yml # CHANGELOG.md # CITATIONS.md # README.md # bin/check_samplesheet.py # conf/base.config # conf/igenomes.config # docs/usage.md # lib/WorkflowMain.groovy # lib/WorkflowQuantms.groovy # modules/local/samplesheet_check.nf # nextflow.config # nextflow_schema.json # workflows/quantms.nf
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Merge branch 'TEMPLATE' of https://github.com/nf-core/quantms into me…
…rging-template-update
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Merge pull request #108 from jpfeuffer/merging-template-update
Merging template update 2.9
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Merge pull request #109 from jpfeuffer/merging-template-update
fix some lint warnings
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Merge branch 'feature/sage' of https://github.com/nf-core/quantms int…
…o feature/sage
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Commits on Sep 3, 2023
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Experimental/bruker agg metrics (#3)
* more report info * bugfix on variable replacement * bugfix, unavailable variable * added debug info
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Merge pull request #111 from nf-core/sdrf-pipelines-0.0.23
Update main.nf
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Merge pull request #105 from nf-core/feature/sage
[FEATURE] Add sage as a means for identification in DDA
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Merge pull request #279 from bigbio/sage-bug-fixing
Fixing multiple bugs of sage quantms
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Commits on Sep 10, 2023
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Merge branch 'feature/bruker_data' of github.com:TalusBio/quantms int…
…o feature/bruker_data
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Commits on Sep 15, 2023
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Merge branch 'dev' of https://github.com/bigbio/quantms into dev
# Conflicts: # .github/workflows/awsfulltest.yml # .github/workflows/awstest.yml # CITATIONS.md # README.md # bin/check_samplesheet.py # conf/base.config # lib/WorkflowMain.groovy # lib/WorkflowQuantms.groovy # modules/local/samplesheet_check.nf # nextflow.config # nextflow_schema.json # workflows/quantms.nf
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Merge pull request #284 from ypriverol/dev
sdrf-pipelines version 0.0.24 and parameters for msstats tmt
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Commits on Sep 19, 2023
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Maintainance/finish integration with bigbio (#5)
* changed files to paths in final diann analysis * updated decompression to support zip * added exception when the decompressed file already matches the required pattern
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Merge pull request #289 from ypriverol/dev
update some process to openms dev
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Merge pull request #292 from ypriverol/dev
id transfer threshold update
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Commits on Sep 27, 2023
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Merge pull request #293 from ypriverol/dev
updating percolator for testing
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Merge branch 'nf-core-template-merge-2.10' of https://github.com/nf-c…
…ore/quantms into dev # Conflicts: # CITATIONS.md # README.md # docs/output.md # docs/usage.md # main.nf # modules.json # modules/nf-core/fastqc/main.nf # nextflow_schema.json
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Merge pull request #294 from ypriverol/dev
updating nextflow.config
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Update modules/local/dotd_to_mqc/main.nf
Co-authored-by: Yasset Perez-Riverol <ypriverol@gmail.com>
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Update modules/local/decompress_dotd/main.nf
Co-authored-by: Yasset Perez-Riverol <ypriverol@gmail.com>
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Merge pull request #275 from TalusBio/feature/bruker_data
Feature/bruker data
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Merge pull request #295 from ypriverol/dev
First iteration of bug fixing in Bruker support
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Commits on Sep 30, 2023
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Update modules/local/openms/proteomicslfq/main.nf
Co-authored-by: Julianus Pfeuffer <julianus.pfeuffer@pfizer.com>
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Commits on Oct 11, 2023
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Update filters nextflow.config
based on comment bigbio#301 (comment) and the corresponding benchamrks I have updated the filters and parameters for LFQ
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Merge pull request #300 from ypriverol/dev
major refactoring of PLFQ to a probabilistic approach
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Merge pull request #302 from ypriverol/dev
error fixed docker hub diann
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Co-authored-by: Julianus Pfeuffer <julianus.pfeuffer@pfizer.com>
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Merge pull request #306 from daichengxin/dev
Add warning info and set mass accurancy automatic for DIA when Dalton input(Don't merge)
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Merge pull request #118 from bigbio/dev
Major PR for version 1.2 of quantms
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Merge pull request #121 from daichengxin/dev
Update diann_convert.py
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Merge branch 'feature/bruker_data' of github.com:TalusBio/quantms int…
…o feature/bruker_data
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Merge pull request #312 from TalusBio/feature/bruker_data
Fallback version reporting of zip
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Merge pull request #313 from TalusBio/feature/retain_final_speclib
Feature/retain final speclib
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Merge pull request #314 from daichengxin/dev
update dda and bruker report
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Update modules/local/openms/thirdparty/searchenginemsgf/main.nf
Co-authored-by: Julianus Pfeuffer <julianus.pfeuffer@pfizer.com>
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Merge pull request #316 from ypriverol/dev
Error fix in msgf+ module.
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Merge pull request #321 from daichengxin/dev
standardize spectrum identifier for bruker data
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Merge pull request #125 from bigbio/dev
Multiple changes before the release.
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Co-authored-by: Fabian Egli <fabianegli@users.noreply.github.com>
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Merge pull request #126 from fabianegli/changes-from-review-of-pr120
use https instead of http for shields.io resources
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Merge pull request #127 from fabianegli/mypy-found-issue-fixes
Mypy found issue fixes
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Co-authored-by: Fabian Egli <fabianegli@users.noreply.github.com>
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promote DiannDirectory to a full class
As it is, there is too much logic in this class for it to be a dataclass.
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remove unused argument and simplify function
The only_first argument was never used in any function call in the script. It is also very easy to get the whole list of files matching a glob, if necessary.
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extract the diann version as a property
and make validate_diann_version a method
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Merge pull request #128 from fabianegli/more-fixes-for-type-annotations
More fixes for type annotations
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Commits on Nov 2, 2023
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Merge pull request #131 from fabianegli/release-preparation
set release date and release version
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