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Update for version 0.1
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iwc-workflows-bot committed Nov 25, 2024
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11 changes: 11 additions & 0 deletions .dockstore.yml
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version: 1.2
workflows:
- name: main
subclass: Galaxy
publish: true
primaryDescriptorPath: /clinicalmp-verification.ga
testParameterFiles:
- /clinicalmp-verification-tests.yml
authors:
- name: Pratik Jagtap
orcid: 0000-0003-0984-0973
20 changes: 20 additions & 0 deletions .github/workflows/wftest.yml
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name: Periodic workflow test
on:
schedule:
- cron: '0 3 * * *'
workflow_dispatch:
jobs:
setup:
name: Setup cache
uses: galaxyproject/iwc/.github/workflows/setup.yml@main
with:
galaxy-fork: galaxyproject
test:
name: Test workflow
needs: setup
uses: galaxyproject/iwc/.github/workflows/test_workflows.yml@main
with:
galaxy-head-sha: ${{ needs.setup.outputs.galaxy-head-sha }}
galaxy-fork: galaxyproject
repository-list: '.'
check-outputs: true
4 changes: 4 additions & 0 deletions CHANGELOG.md
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# Changelog

## [0.1] 2024-11-19
First release.
29 changes: 29 additions & 0 deletions README.md
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# Clinical Metaproteomics 3: Verification
This workflow uses the PepQuery tool to verify peptides discovered with the clinical metaproteomics discovery workflow.
The PepQuery tool outputs verified peptides that can be used to generate a verified protein database that can be used for the clinical metaproteomics quantitation workflow.

More background on this workflow can be found in the [Clinical Metaproteomics 3: Verification tutorial](https://training.galaxyproject.org/training-material/topics/proteomics/tutorials/clinical-mp-3-verification/tutorial.html)

## Inputs datasets

### Tabular Input Files
- SGPS peptide report
- MaxQuant Peptide report
- Distinct Peptides for PepQuery

### Search Databases (FASTA)
- Uniprot HUMAN database
- cRAP

### MSMS files
The tandem MS/MS files can be downloaded via Zenodo. These MS/MS input files are pilot datasets from Papanicolaou test samples from healthy, benign and ovarian cancer patients.

## Input Values
For PepQuery:
- Search Tolerances
- Digestion Enzyme
- Peptide Length
- Modifications

## Processing
Extract protein sequences for the verified peptides.
49 changes: 49 additions & 0 deletions clinicalmp-verification-tests.yml
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- doc: Test outline for Clinical Metaproteomics Verification Workflow
job:
SGPS peptide report:
class: File
path: test-data/SGPS_peptide-report.tabular
filetype: tabular
Distinct Peptides for PepQuery:
class: File
path: test-data/Distinct_Peptides_for_PepQuery.tabular
filetype: tabular
MaxQuant peptide report:
class: File
path: test-data/MaxQuant-peptide-report.tabular
filetype: tabular
Tandem Mass Spectrometry (MS/MS) datasets:
class: Collection
collection_type: list
elements:
- class: File
identifier: PTRC_Skubitz_Plex2_F15_9Aug19_Rage_Rep-19-06-08.mgf
location: https://zenodo.org/records/14181725/files/PTRC_Skubitz_Plex2_F15_9Aug19_Rage_Rep-19-06-08.mgf
- class: File
identifier: PTRC_Skubitz_Plex2_F13_9Aug19_Rage_Rep-19-06-08.mgf
location: https://zenodo.org/records/14181725/files/PTRC_Skubitz_Plex2_F13_9Aug19_Rage_Rep-19-06-08.mgf
- class: File
identifier: PTRC_Skubitz_Plex2_F11_9Aug19_Rage_Rep-19-06-08.mgf
location: https://zenodo.org/records/14181725/files/PTRC_Skubitz_Plex2_F11_9Aug19_Rage_Rep-19-06-08.mgf
- class: File
identifier: PTRC_Skubitz_Plex2_F10_9Aug19_Rage_Rep-19-06-08.mgf
location: https://zenodo.org/records/14181725/files/PTRC_Skubitz_Plex2_F10_9Aug19_Rage_Rep-19-06-08.mgf
outputs:
Human UniProt+Isoforms FASTA:
asserts:
has_text:
text: ">sp"
cRAP:
path: test-data/cRAP.fasta
Human UniProt+Isoforms+cRAP FASTA:
asserts:
has_text:
text: ">sp"
Peptide and Protein from Peptide Reports:
path: test-data/Peptide_and_Protein_from_Peptide_Reports.tabular
Uniprot ID from verified Peptides:
path: test-data/Uniprot-ID_from_verified_Peptides.tabular
Quantitation Database for MaxQuant:
asserts:
has_text:
text: ">tr"
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