Automated Data Processing Workflows for Non-Expert Users of NMR Facilities.

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

SUBMITTER: Afrough A 

PROVIDER: S-EPMC12223945 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature