Preprints
https://doi.org/10.5194/mr-2024-2
https://doi.org/10.5194/mr-2024-2
31 Jan 2024
 | 31 Jan 2024
Status: this preprint is currently under review for the journal MR.

A modular library for fast prototyping of solution-state nuclear magnetic resonance experiments

Michał Górka and Wiktor Koźmiński

Abstract. We present a framework library (Modular Elements, ME) for the development of pulse sequences for Bruker spectrometers. It implements a two-level abstraction approach–the lower level comprises basic functional elements of pulse sequences and the higher one often-reused blocks comprising multiple spin echoes. The low-level abstractions reduce code duplication between variants of experiments such as hard-pulse and selective variants of individual NMR experiments. The high-level modules enable further reuse of pulse program code and aid in the construction of complex experiments. We show the library’s functionality by presenting pulse programs that can be switched between standard and TROSY variants, hard and shaped pulses and can seamlessly incorporate real-time homodecoupling. Adaptability is further demonstrated in a configurable 4D NOESY program.

Michał Górka and Wiktor Koźmiński

Status: open (until 01 Mar 2024)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2024-2', Eriks Kupce, 20 Feb 2024 reply
Michał Górka and Wiktor Koźmiński
Michał Górka and Wiktor Koźmiński

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Short summary
We have written a programming library for biological NMR, a commonly used research method. Its use simplifies (makes it faster and less error-prone) development of new research methods. We demonstrate that it allows for consolidating several experimental methods into one file without adding complexity. We hope that it will be of use for other groups developing NMR experiments.