Evidence map›Paper›PMID 39013167›Full record

ArticleJournal of the American Society for Mass Spectrometry2024

PeakQC: A Software Tool for Omics-Agnostic Automated Quality Control of Mass Spectrometry Data.

Andrea Harrison, Josie G Eder, Priscila M Lalli, Nathalie Munoz, Yuqian Gao, Chaevien S Clendinen, Daniel J Orton, Xueyun Zheng, Sarah M Williams, Sneha P Couvillion and 9 more

Abstract read
In one paragraph

Article in Journal of the American Society for Mass Spectrometry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Computational Tools for LC-IMS-MS Data Processing in Metabolomics.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  2. Article
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

19 authors.

Andrea HarrisonEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Josie G EderBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Priscila M LalliBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Nathalie MunozEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Yuqian GaoBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0003-1646-4515
Chaevien S ClendinenEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0002-1487-4126
Daniel J OrtonBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Xueyun ZhengBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0001-9782-4521
Sarah M WilliamsEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Sneha P CouvillionBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Rosalie K ChuEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Vimal K BalasubramanianEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Arunima BhattacharjeeEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Christopher R AndertonEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0002-6170-1033
Kyle R PomraningEnergy Processes & Materials Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0003-2324-2881
Kristin E Burnum-JohnsonEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0002-2722-4149
Tao LiuBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0001-9529-6550
Jennifer E KyleBiological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Aivett BilbaoEnvironmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.ORCID 0000-0003-2985-8249

Funding

Center for Advanced Multi-Omic Characterization of CancerU24CA271012 · NCI · BATTELLE PACIFIC NORTHWEST LABORATORIES · PI Tao Liu · 2022 to 2026
$6.6M
NCI NIH HHS U24 CA271012
6 · The paper itself

Abstract

Mass spectrometry is broadly employed to study complex molecular mechanisms in various biological and environmental fields, enabling 'omics' research such as proteomics, metabolomics, and lipidomics. As study cohorts grow larger and more complex with dozens to hundreds of samples, the need for robust quality control (QC) measures through automated software tools becomes paramount to ensure the integrity, high quality, and validity of scientific conclusions from downstream analyses and minimize the waste of resources. Since existing QC tools are mostly dedicated to proteomics, automated solutions supporting metabolomics are needed. To address this need, we developed the software PeakQC, a tool for automated QC of MS data that is independent of omics molecular types (i.e., omics-agnostic). It allows automated extraction and inspection of peak metrics of precursor ions (e.g., errors in mass, retention time, arrival time) and supports various instrumentations and acquisition types, from infusion experiments or using liquid chromatography and/or ion mobility spectrometry front-end separations and with/without fragmentation spectra from data-dependent or independent acquisition analyses. Diagnostic plots for fragmentation spectra are also generated. Here, we describe and illustrate PeakQC's functionalities using different representative data sets, demonstrating its utility as a valuable tool for enhancing the quality and reliability of omics mass spectrometry analyses.

Indexed as

Mass SpectrometryMetabolomicsQuality ControlSoftwareChromatography, LiquidHumansProteomicsReproducibility of Resultscomputational tooldata-dependent acquisitiondata-independent acquisition, data quality control, proteomicsdata processingion mobility spectrometrylipidomics, algorithmliquid chromatographymetabolomics

Identifiers

PMID39013167
PMCPMC11932329

What Socratic holds

Textmetadata
LicenceTDM
Read underepoch 390

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 Socratic graph.