Evidence map›Paper›PMID 35292629›Full record

ArticleNature communications2022

DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics.

Oliver Alka, Premy Shanthamoorthy, Michael Witting, Karin Kleigrewe, Oliver Kohlbacher, Hannes L Röst

Abstract read
In one paragraph

Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.

0numbers the graph read from it
0cells of the map it votes in
21citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

21 citing papers in PubMed.

  1. Article
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  6. LC-MS Data Processing Using OpenMS.Methods in molecular biology (Clifton, N.J.) · 2026
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  20. The critical role that spectral libraries play in capturing the metabolomics community knowledge.Metabolomics : Official journal of the Metabolomic Society · 2022
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Oliver AlkaDepartment of Computer Science, Applied Bioinformatics, University of Tübingen, Tübingen, Germany. oliver.alka@uni-tuebingen.de.ORCID 0000-0001-5046-4565
Premy ShanthamoorthyTerrence Donnelly Centre for Cellular & Biomolecular Research, University of Toronto, Toronto, Canada.
Michael WittingMetabolomics and Proteomics Core, Helmholtz Zentrum München, Neuherberg, Germany.ORCID 0000-0002-1462-4426
Karin KleigreweBavarian Center for Biomolecular Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0000-0002-7718-0252
Oliver KohlbacherDepartment of Computer Science, Applied Bioinformatics, University of Tübingen, Tübingen, Germany.ORCID 0000-0003-1739-4598
Hannes L RöstTerrence Donnelly Centre for Cellular & Biomolecular Research, University of Toronto, Toronto, Canada. hannes.rost@utoronto.ca.ORCID 0000-0003-0990-7488

Funding

CIHR 419634
6 · The paper itself

Abstract

The extraction of meaningful biological knowledge from high-throughput mass spectrometry data relies on limiting false discoveries to a manageable amount. For targeted approaches in metabolomics a main challenge is the detection of false positive metabolic features in the low signal-to-noise ranges of data-independent acquisition results and their filtering. Another factor is that the creation of assay libraries for data-independent acquisition analysis and the processing of extracted ion chromatograms have not been automated in metabolomics. Here we present a fully automated open-source workflow for high-throughput metabolomics that combines data-dependent and data-independent acquisition for library generation, analysis, and statistical validation, with rigorous control of the false-discovery rate while matching manual analysis regarding quantification accuracy. Using an experimentally specific data-dependent acquisition library based on reference substances allows for accurate identification of compounds and markers from data-independent acquisition data in low concentrations, facilitating biomarker quantification.

Indexed as

MetabolomicsBiomarkersMass SpectrometryWorkflowBiomarkers

Identifiers

PMID35292629
PMCPMC8924252

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.