Automated quantitative analysis of DIA proteomics mass spectrometry measurements.

Introduction

nfcore/diaproteomics is a bioinformatics analysis pipeline used for quantitative processing of data independant (DIA) proteomics data.

The workflow is based on the OpenSwathWorkflow for SWATH-MS proteomic data. DIA RAW files (mzML) serve as inputs and library search is performed based on a given input spectral library. If specified internal retention time standarts (irts) will be used to align library and DIA measurements into the same retention time space. FDR rescoring is applied using Pyprophet based on a competitive target-decoy approach on peakgroup or global peptide and protein level.

The pipeline container contains all dependencies to easily extend it with EasyPQP library generation and DIAlignR chromatogram alignment and quantification.

Quick Start

1. Install nextflow

2. Install either Docker or Singularity for full pipeline reproducibility (please only use Conda as a last resort; see docs)

3. Download the pipeline and test it on a minimal dataset with a single command:

   nextflow run nf-core/diaproteomics -profile test,<docker/singularity/conda/institute>

   Please check nf-core/configs to see if a custom config file to run nf-core pipelines already exists for your Institute. If so, you can simply use -profile <institute> in your command. This will enable either docker or singularity and set the appropriate execution settings for your local compute environment.

4. Start running your own analysis!

   nextflow run nf-core/diaproteomics --dia_mzmls '*.mzML' --spectral_lib '*.pqp' --irts '*.pqp' --swath_windows '*.txt' -profile <docker/singularity/conda/institute>

See usage docs for all of the available options when running the pipeline.

Documentation

The nf-core/diaproteomics pipeline comes with documentation about the pipeline which you can read at https://nf-core/diaproteomics/docs or find in the docs/ directory.

Credits

nf-core/diaproteomics was originally written by Leon Bichmann.

Contributions and Support

If you would like to contribute to this pipeline, please see the contributing guidelines.

For further information or help, don't hesitate to get in touch on the Slack #diaproteomics channel (you can join with this invite).

Citation

You can cite the nf-core publication as follows:

The nf-core framework for community-curated bioinformatics pipelines.

Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.

Nat Biotechnol. 2020 Feb 13. doi: 10.1038/s41587-020-0439-x. ReadCube: Full Access Link