ArticleMagnetic resonance in chemistry : MRC2025
Automated Data Processing Workflows for Non-Expert Users of NMR Facilities.
Article in Magnetic resonance in chemistry : MRC, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Pure Gaussian Apodisation Reduces Integral Crosstalk Sensitivity in Quantitative NMR.Magnetic resonance in chemistry : MRC · 2026Article
- Automated Chemical Profiling of Wine by Solution NMR Spectroscopy: A Demonstration for Outreach and Education.Journal of chemical education · 2026Article
- Development of a hybrid 2.5D deep learning model for glioma survival prediction using T1-weighted MRI from the CGGA database.European journal of radiology open · 2025Article
- Automated Data Processing Workflows for Non-Expert Users of NMR Facilities.Magnetic resonance in chemistry : MRC · 2025Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The cost and complexity of modern NMR spectrometers have led to the establishment of centralized, ultrahigh-field facilities with multiple instruments that benefit from shared infrastructure and expertise. Many users have no NMR background, as they come from diverse scientific fields. This requires either heavy involvement of NMR experts in the data treatment or that data processing workflows are made user-friendly, robust, and amenable to automation. This paper discusses how at the Danish Center for Ultrahigh Field NMR Spectroscopy at Aarhus University we develop automated-or guided-data processing workflows to serve the broad community of users of the Center. By providing consistency checks in the algorithms and reporting intermediate results, our data analysis tools raise flags if they are-or are likely-failing. We illustrate this approach with two examples: an automated quantitative lipidomics workflow and a semi-automated multi-exponential relaxation analysis in food matrices. The lipidomics workflow uses
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Registered trials
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.