Proteomics: MaxQuant and MSstats LFQ workflow

proteomics-maxquant-msstats-dda-lfq/main-workflow

Author(s)

version Version
3
last_modification Last updated
Jun 4, 2021
license License
None Specified, defaults to CC-BY-4.0
galaxy-tags Tags
proteomics

Features

Tutorial
hands_on MaxQuant and MSstats for the analysis of label-free data

Workflow Testing
Tests: ❌
Results: Not yet automated
FAIRness purl PURL
https://gxy.io/GTN:W00158
RO-Crate logo with flask Download Workflow RO-Crate Workflowhub cloud with gears logo View on WorkflowHub
Launch in Tutorial Mode question
galaxy-download Download
flowchart TD
  0["ℹ️ Input Dataset\nannotation file"];
  style 0 stroke:#2c3143,stroke-width:4px;
  1["ℹ️ Input Dataset\ncomparison matrix"];
  style 1 stroke:#2c3143,stroke-width:4px;
  2["ℹ️ Input Dataset\nfasta protein database"];
  style 2 stroke:#2c3143,stroke-width:4px;
  3["ℹ️ Input Collection\nraw files"];
  style 3 stroke:#2c3143,stroke-width:4px;
  4["MaxQuant"];
  2 -->|output| 4;
  3 -->|output| 4;
  5["Select"];
  4 -->|proteinGroups| 5;
  6["Select"];
  4 -->|evidence| 6;
  7["Replace Text"];
  5 -->|out_file1| 7;
  8["Replace Text"];
  6 -->|out_file1| 8;
  9["MSstats"];
  1 -->|output| 9;
  0 -->|output| 9;
  8 -->|outfile| 9;
  7 -->|outfile| 9;
  10["Datamash"];
  9 -->|runlevel_data| 10;
  11["Summary Statistics"];
  9 -->|runlevel_data| 11;
  12["Replace Text"];
  9 -->|comparison_result| 12;
  13["Replace Text"];
  9 -->|quant_sample_matrix| 13;
  14["Filter"];
  12 -->|outfile| 14;
  15["Filter"];
  14 -->|out_file1| 15;
  16["Filter"];
  14 -->|out_file1| 16;
  17["Filter"];
  15 -->|out_file1| 17;
  18["Filter"];
  16 -->|out_file1| 18;
  19["Cut"];
  17 -->|out_file1| 19;
  20["Cut"];
  18 -->|out_file1| 20;
  21["Join"];
  13 -->|outfile| 21;
  19 -->|out_file1| 21;
  22["Join"];
  13 -->|outfile| 22;
  20 -->|out_file1| 22;
  23["heatmap2"];
  21 -->|output| 23;
  24["UniProt"];
  21 -->|output| 24;
  25["heatmap2"];
  22 -->|output| 25;
  26["UniProt"];
  22 -->|output| 26;
  27["FASTA-to-Tabular"];
  24 -->|outfile_retrieve_fasta| 27;
  28["FASTA-to-Tabular"];
  26 -->|outfile_retrieve_fasta| 28;

Inputs

Input Label
Input dataset annotation file
Input dataset comparison matrix
Input dataset fasta protein database
Input dataset collection raw files

Outputs

From Output Label
toolshed.g2.bx.psu.edu/repos/galaxyp/maxquant/maxquant/1.6.10.43+galaxy4 MaxQuant
Grep1 Select
Grep1 Select
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_replace_in_column/1.1.3 Replace Text
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_replace_in_column/1.1.3 Replace Text
toolshed.g2.bx.psu.edu/repos/galaxyp/msstats/msstats/3.22.0.1 MSstats
toolshed.g2.bx.psu.edu/repos/iuc/datamash_ops/datamash_ops/datamash_ops/1.0.6 Datamash
Summary_Statistics1 Summary Statistics
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_replace_in_column/1.1.3 Replace Text
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_replace_in_column/1.1.3 Replace Text
Filter1 Filter
Filter1 Filter
Filter1 Filter
Filter1 Filter
Filter1 Filter
Cut1 Cut
Cut1 Cut
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_easyjoin_tool/1.1.2 Join
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_easyjoin_tool/1.1.2 Join
toolshed.g2.bx.psu.edu/repos/iuc/ggplot2_heatmap2/ggplot2_heatmap2/3.0.1 heatmap2
toolshed.g2.bx.psu.edu/repos/bgruening/uniprot_rest_interface/uniprot/0.2 UniProt
toolshed.g2.bx.psu.edu/repos/iuc/ggplot2_heatmap2/ggplot2_heatmap2/3.0.1 heatmap2
toolshed.g2.bx.psu.edu/repos/bgruening/uniprot_rest_interface/uniprot/0.2 UniProt
toolshed.g2.bx.psu.edu/repos/devteam/fasta_to_tabular/fasta2tab/1.1.1 FASTA-to-Tabular
toolshed.g2.bx.psu.edu/repos/devteam/fasta_to_tabular/fasta2tab/1.1.1 FASTA-to-Tabular

Tools

Tool Links
Cut1
Filter1
Grep1
Summary_Statistics1
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_easyjoin_tool/1.1.2 View in ToolShed
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_replace_in_column/1.1.3 View in ToolShed
toolshed.g2.bx.psu.edu/repos/bgruening/uniprot_rest_interface/uniprot/0.2 View in ToolShed
toolshed.g2.bx.psu.edu/repos/devteam/fasta_to_tabular/fasta2tab/1.1.1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/maxquant/maxquant/1.6.10.43+galaxy4 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/msstats/msstats/3.22.0.1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/iuc/datamash_ops/datamash_ops/datamash_ops/1.0.6
toolshed.g2.bx.psu.edu/repos/iuc/ggplot2_heatmap2/ggplot2_heatmap2/3.0.1 View in ToolShed

To use these workflows in Galaxy you can either click the links to download the workflows, or you can right-click and copy the link to the workflow which can be used in the Galaxy form to import workflows.

Importing into Galaxy

Below are the instructions for importing these workflows directly into your Galaxy server of choice to start using them!
Hands-on: Importing a workflow
  • Click on Workflow on the top menu bar of Galaxy. You will see a list of all your workflows.
  • Click on galaxy-upload Import at the top-right of the screen
  • Provide your workflow
    • Option 1: Paste the URL of the workflow into the box labelled “Archived Workflow URL”
    • Option 2: Upload the workflow file in the box labelled “Archived Workflow File”
  • Click the Import workflow button

Below is a short video demonstrating how to import a workflow from GitHub using this procedure:

Video: Importing a workflow from URL

Version History

Version Commit Time Comments
3 e1daddc51 2021-06-04 05:26:15 fixing broken boxes, adjusting results for actual set MSstats parameters
2 0463f30a6 2021-06-03 12:22:34 changed Maxquant parameters and removed middle part of training
1 ae8154eef 2021-02-17 11:59:25 Adding new maxquant msstats tutorial

For Admins

Installing the workflow tools

wget https://training.galaxyproject.org/training-material/topics/proteomics/tutorials/maxquant-msstats-dda-lfq/workflows/main_workflow.ga -O workflow.ga
workflow-to-tools -w workflow.ga -o tools.yaml
shed-tools install -g GALAXY -a API_KEY -t tools.yaml
workflow-install -g GALAXY -a API_KEY -w workflow.ga --publish-workflows