Nontargeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility

Non-targeted
analysis (NTA) workflows using mass spectrometry are
gaining popularity in many disciplines, but universally accepted reporting
standards are nonexistent. Current guidance addresses limited elements
of NTA reportingmost notably, identification confidenceand
is insufficient to ensure scientific transparency and reproducibility
given the complexity of these methods. This lack of reporting standards
hinders researchers’ development of thorough study protocols
and reviewers’ ability to efficiently assess grant and manuscript
submissions. To overcome these challenges, we developed the NTA Study
Reporting Tool (SRT), an easy-to-use, interdisciplinary framework
for comprehensive NTA methods and results reporting. Eleven NTA practitioners
reviewed eight published articles covering environmental, food, and
health-based exposomic applications with the SRT. Overall, our analysis
demonstrated that the SRT provides a valid structure to guide study
design and manuscript writing, as well as to evaluate NTA reporting
quality. Scores self-assigned by authors fell within the range of
peer-reviewer scores, indicating that SRT use for self-evaluation
will strengthen reporting practices. The results also highlighted
NTA reporting areas that need immediate improvement, such as analytical
sequence and quality assurance/quality control information. Although
scores intentionally do not correspond to data/results quality, widespread
implementation of the SRT could improve study design and standardize
reporting practices, ultimately leading to broader use and acceptance
of NTA data.