Securing the Future of NMR Metabolomics Reproducibility: A Call for Standardized Reporting

Area of Science:

• Metabolomics
• Nuclear Magnetic Resonance (NMR) Spectroscopy
• Biochemistry
• Analytical Chemistry

Background:

• Metabolomics is a rapidly expanding field with increasing demand, attracting many new researchers.
• Varied expertise and interests among researchers lead to inconsistencies in methodology and reporting within metabolomics studies.
• A literature review highlighted significant shortcomings in reporting NMR metabolomics experiments, impacting scientific rigor and reproducibility.

Purpose of the Study:

• To address inconsistencies in NMR metabolomics research by establishing clear reporting recommendations.
• To enhance the reproducibility, reusability, and comparability of NMR metabolomics data.
• To support high-quality, impactful research through well-executed and thoroughly reported studies.

Main Methods:

• A comparative literature review of NMR metabolomics studies from 2010 and 2020 was conducted.
• Reporting recommendations were developed based on identified shortcomings in experimental details.
• Seminal papers were compiled to guide study design and implementation.

Main Results:

• Significant shortcomings were found in the reporting of experimental details for NMR metabolomics.
• Methodological choices at each research stage can introduce bias and alter results.
• The need for standardized reporting is crucial for scientific rigor and data integrity.

Conclusions:

• The NMR Special Interest Group of the Metabolomics Association of North America proposes reporting recommendations.
• Recommendations cover study design, sample preparation, data acquisition, processing, analysis, accessibility, and comparability.
• Adherence to these guidelines will improve the quality and impact of NMR metabolomics research.