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DIAproteomics: A multi-functional data analysis pipeline for data-independent-acquisition proteomics and peptidomics

View ORCID ProfileLeon Bichmann, Shubham Gupta, George Rosenberger, Leon Kuchenbecker, Timo Sachsenberg, Oliver Alka, Julianus Pfeuffer, View ORCID ProfileOliver Kohlbacher, Hannes Röst
doi: https://doi.org/10.1101/2020.12.08.415844
Leon Bichmann
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
2Institute for Cell Biology, Department of Immunology, University of Tübingen, Germany
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  • For correspondence: leon.bichmann@uni-tuebingen.de
Shubham Gupta
3Donnelly Center for Biomolecular research, University of Toronto, Toronto, Canada
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George Rosenberger
4Department of Systems Biology, Columbia University, New York, NY, USA
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Leon Kuchenbecker
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
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Timo Sachsenberg
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
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Oliver Alka
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
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Julianus Pfeuffer
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
5Institute for Informatics, Freie Universität Berlin, Berlin, Germany
6Zuse Institute Berlin, Berlin, Germany
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Oliver Kohlbacher
1Department of Computer Science, Applied Bioinformatics, University of Tübingen, Germany
7Institute for Biomedical Informatics, University of Tübingen, Germany
8Institute for Translational Bioinformatics, University Hospital Tübingen, Germany
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Hannes Röst
3Donnelly Center for Biomolecular research, University of Toronto, Toronto, Canada
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ABSTRACT

Data-independent acquisition (DIA) is becoming a leading analysis method in biomedical mass spectrometry. Main advantages include greater reproducibility, sensitivity and dynamic range compared to data-dependent acquisition (DDA). However, data analysis is complex and often requires expert knowledge when dealing with large-scale data sets. Here we present DIAproteomics a multi-functional, automated high-throughput pipeline implemented in Nextflow that allows to easily process proteomics and peptidomics DIA datasets on diverse compute infrastructures. Central components are well-established tools such as the OpenSwathWorkflow for DIA spectral library search and PyProphet for false discovery rate assessment. In addition, it provides options to generate spectral libraries from existing DDA data and carry out retention time and chromatogram alignment. The output includes annotated tables and diagnostic visualizations from statistical post-processing and computation of fold-changes across pairwise conditions, predefined in an experimental design. DIAproteomics is open-source software and available under a permissive license to the scientific community at https://www.openms.de/diaproteomics/.

Competing Interest Statement

The authors have declared no competing interest.

  • ABBREVIATIONS
    LC-MS/MS
    liquid chromatography coupled mass spectrometry;
    MS
    mass spectrometry;
    DIA
    data-independent acquisition;
    DDA
    data-dependent acquisition;
    FDR
    false discovery rate;
    XIC
    extracted ion chromatogram;
    HPC
    high-performance computing
  • Copyright 
    The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license.
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    Posted December 09, 2020.
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    DIAproteomics: A multi-functional data analysis pipeline for data-independent-acquisition proteomics and peptidomics
    Leon Bichmann, Shubham Gupta, George Rosenberger, Leon Kuchenbecker, Timo Sachsenberg, Oliver Alka, Julianus Pfeuffer, Oliver Kohlbacher, Hannes Röst
    bioRxiv 2020.12.08.415844; doi: https://doi.org/10.1101/2020.12.08.415844
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    DIAproteomics: A multi-functional data analysis pipeline for data-independent-acquisition proteomics and peptidomics
    Leon Bichmann, Shubham Gupta, George Rosenberger, Leon Kuchenbecker, Timo Sachsenberg, Oliver Alka, Julianus Pfeuffer, Oliver Kohlbacher, Hannes Röst
    bioRxiv 2020.12.08.415844; doi: https://doi.org/10.1101/2020.12.08.415844

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