Evidence map›Paper›PMID 40542438›Full record

ArticleJournal of cheminformatics2025

Shinyscreen: mass spectrometry data inspection and quality checking utility.

Todor Kondić, Anjana Elapavalore, Jessy Krier, Adelene Lai, Hiba Mohammed Taha, Mira Narayanan, Emma L Schymanski

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2025. 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. 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

7 authors.

Todor KondićLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg.ORCID http://orcid.org/0000-0001-6662-4375
Anjana ElapavaloreLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg. anjana.elapavalore@uni.lu.ORCID http://orcid.org/0000-0002-0295-6618
Jessy KrierLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg.ORCID http://orcid.org/0000-0001-6986-5545
Adelene LaiLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg.ORCID http://orcid.org/0000-0002-2985-6473
Hiba Mohammed TahaLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg.ORCID http://orcid.org/0000-0001-7820-4335
Mira NarayananLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg.ORCID http://orcid.org/0000-0001-5428-8183
Emma L SchymanskiLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg. emma.schymanski@uni.lu.ORCID http://orcid.org/0000-0001-6868-8145

Funding

Fonds National de la Recherche Luxembourg A18/BM/12341006The European Union Research and Innovation program Horizon Europe for PARC 101057014
6 · The paper itself

Abstract

Shinyscreen is an R package and Shiny-based web application designed for the exploration, visualization, and quality assessment of raw data from high resolution mass spectrometry instruments. Its versatile list-based approach supports the curation of data starting from either known or "suspected" compounds (compound list-based screening) or detected masses (mass list-based screening), making it adaptable to diverse analytical needs (target, suspect or non-target screening). Shinyscreen can be operated in multiple modes, including as an R package, an interactive command-line tool, a self-documented web GUI, or a network-deployable service. Shinyscreen has been applied in environmental research, database enrichment, and educational initiatives, showcasing its broad utility. Shinyscreen is available in GitLab ( https://gitlab.com/uniluxembourg/lcsb/eci/shinyscreen ) under the Apache License 2.0. The repository contains detailed instructions for deployment and use. Additionally, a pre-configured Docker image, designed for seamless installation and operation is available, with instructions also provided in the main repository. Scientific Contribution: Shinyscreen is a fully open source prescreening application to assist analysts in the high throughput quality control of the thousands of peaks detected in high resolution mass spectrometry experiments. As a vendor-independent, cross operating system application it covers an important niche in open mass spectrometry workflows. Shinyscreen supports quality control of data for further identification or upload of spectra to public data resources, as well as teaching efforts to educate students on the importance of data quality control and rigorous identification methods.

Indexed as

Compound identificationData processingDockerHigh resolution mass spectrometryMetFragNon-targeted analysisShinySpectral data analysisVisualisation

Identifiers

PMID40542438
PMCPMC12181873

What OpenQuestion holds

Textmetadata
LicenceCC BY
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 OpenQuestion graph.