A1 Refereed original research article in a scientific journal
Complete Data Analysis Workflow for Quantitative DIA Mass Spectrometry Using Nextflow
Authors: Perk, Mats; Pietilä, Sami; Välikangas, Tommi; Balint, Balazs; Suomi, Tomi; Elo, Laura L.
Publisher: American Chemical Society (ACS)
Publication year: 2026
Journal: Journal of Proteome Research
ISSN: 1535-3893
eISSN: 1535-3907
DOI: https://doi.org/10.1021/acs.jproteome.5c00266
Publication's open availability at the time of reporting: Open Access
Publication channel's open availability : Partially Open Access publication channel
Web address : https://doi.org/10.1021/acs.jproteome.5c00266
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/515617692
Self-archived copy's licence: CC BY
Self-archived copy's version: Publisher`s PDF
Data-independent acquisition (DIA) mass spectrometry is a technique used in proteomics to identify and quantify proteins in complex biological samples. While this comprehensive approach yields more complete and reproducible protein profiles than data-independent acquisition (DDA), the resulting data are substantially larger and more complex, presenting significant challenges for data analysis and interpretation. These challenges can be effectively addressed using dedicated workflow managers that support parallel execution of complex analysis pipelines on high-performance computing infrastructure. Nextflow, in particular, is well-suited for streamlining data analysis, as it automates key aspects of workflow management, allowing researchers to efficiently analyze large-scale data sets with minimal manual intervention. Here, we describe glaDIAtor-nf, a Nextflow version of our software package glaDIAtor for untargeted analysis of DIA mass spectrometry proteomics data. We first demonstrate its technical accuracy through rigorous testing on gold standard data sets. Building on this, we then reveal known proteome patterns from public breast cancer data that remained hidden in the processed data of the original study. This illustrates the potential of reanalyzing the accumulating public data, but also highlights the need for convenient tools to facilitate such reanalysis in large-scale.
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Funding information in the publication:
Prof. Elo reports grants from the European Research Council ERC (677943), European Union’s Horizon 2020 research and innovation program (955321), Research Council of Finland (335611, 341342, 364700), Sigrid Juselius Foundation, and Cancer Foundation Finland during the conduct of the study. This work was supported by ELIXIR, the research infrastructure for life science data, and our research is also supported by Biocenter Finland.