Evidence map›Paper›PMID 39740061›Full record

ArticleRapid communications in mass spectrometry : RCM2025

FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier-Transform Mass Spectrometry Data.

David J Degnan, Daniel M Claborne, Amanda M White, Sarah M Akers, Natalie M Winans, Yuri E Corilo, Clayton W Strauch, Vanessa L Bailey, Lee Ann McCue, Kelly G Stratton and 1 more

Abstract read
In one paragraph

Article in Rapid communications in mass spectrometry : RCM, 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

11 authors.

David J DegnanBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.ORCID https://orcid.org/0000-0001-5737-7173
Daniel M ClaborneAI and Data Analytics Division, Pacific Northwest National Laboratory, Richland, Washington, USA.
Amanda M WhiteAI and Data Analytics Division, Pacific Northwest National Laboratory, Richland, Washington, USA.
Sarah M AkersAI and Data Analytics Division, Pacific Northwest National Laboratory, Richland, Washington, USA.
Natalie M WinansBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.
Yuri E CoriloEnvironmental Molecular Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA.
Clayton W StrauchAI and Data Analytics Division, Pacific Northwest National Laboratory, Richland, Washington, USA.
Vanessa L BaileyBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.
Lee Ann McCueBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.
Kelly G StrattonBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.
Lisa M BramerBiological Sciences Division, University of Chicago, Illinois, Chicago, USA.ORCID https://orcid.org/0000-0002-8384-1926

Funding

Environmental Molecular Sciences Laboratory grid.436923.9
6 · The paper itself

Abstract

rationaleThe high-resolution measurement capability of Fourier-transform mass spectrometry (FT-MS) has made it a necessity for exploring the molecular composition of complex organic mixtures, like soil, plant, aquatic, and petroleum samples. This demand has driven a need for informatics tools to explore and analyze FT-MS data in a robust and reproducible manner.

methodsFREDA is an interactive web application developed to enable spectrometrists to format, process, and explore their FT-MS data without the need for statistical programming expertise. FREDA was built to explore outputs from a molecular identification tool, like CoreMS, and provide a suite of methods to filter data, compute chemical properties of peaks, statistically compare samples and groups of samples, conduct exploratory data analysis, and download the results with a report detailing all steps conducted.

resultsTo demonstrate the utility of FREDA, an example analysis was conducted using FT-MS data from a soil microbiology study of samples collected in two different soil depths at the Sphagnum bog forest north of Grand Rapids, Minnesota. Differences between the two depths are observed using Kendrick, Gibbs free energy, and van Krevelen plots. G-tests are used to quantify a significant difference between the groups. All analyses and plotting are conducted using only the FREDA application.

conclusionsFREDA is an open-source and readily available web application that allows users to explore and make statistically valid conclusions about their FT-MS data. The application is available online (https://map.emsl.pnnl.gov/app/freda) with a tutorial web series (https://youtu.be/k5HLE2kNSBY?si=yB6sGoyvzxrFf5MP) and freely accessible code on Github (https://github.com/EMSL-Computing/FREDA).

Indexed as

exploratory data analysisFT‐MSstatisticsweb application

Identifiers

PMID39740061
PMCPMC11684152

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.