Evidence map›Paper›PMID 39786495›Full record

ArticleAnalytical and bioanalytical chemistry2025

A fast region of interest algorithm for efficient data compression and improved peak detection in high-resolution mass spectrometry.

Oskar Munk Kronik, Jan H Christensen, Nikoline Juul Nielsen, Selina Tisler, Giorgio Tomasi

Abstract read
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In one paragraph

Article in Analytical and bioanalytical chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

5 authors.

Oskar Munk KronikDepartment of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark. omkr@plen.ku.dk.ORCID http://orcid.org/0000-0001-8784-641X
Jan H ChristensenDepartment of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.
Nikoline Juul NielsenDepartment of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.
Selina TislerDepartment of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.
Giorgio TomasiDepartment of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.

Funding

Innovationsfonden 2079-00037BInnovationsfonden 9067-00032ANovo Nordisk Fonden NNF19SA0059348
6 · The paper itself

Abstract

Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is commonly used for identification of compounds in complex samples due to the high chromatographic and mass spectral resolution provided. In subsequent data processing workflows, it is imperative to preserve this resolution to fully exploit the data. "Region of interest" (ROI) algorithms were introduced as a better alternative to equidistant binning for compressing HRMS data because they better preserve the mass spectral resolution. In this paper, we present a new ROI algorithm that improves on the selection of contiguous m/z traces, amongst others by introducing the concept of chromatographic filter, allows for an automated approach to optimise the admissible mass-to-charge deviation (δ

Indexed as

ChromatographyData preprocessingHigh-resolution mass spectrometryNon-target screeningObjective parameterisationRegion of interest

Identifiers

PMID39786495
PMCPMC12583364

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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.