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Magnetic Resonance An interactive open-access publication of the Groupement AMPERE
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Preprints
https://doi.org/10.5194/mr-2020-25
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-2020-25
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

  06 Oct 2020

06 Oct 2020

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This preprint is currently under review for the journal MR.

ssNMRlib: a comprehensive library and tool box for acquisition of solid-state NMR experiments on Bruker spectrometers

Alicia Vallet, Adrien Favier, Bernhard Brutscher, and Paul Schanda Alicia Vallet et al.
  • Univ. Grenoble Alpes, CEA, CNRS, Institut de Biologie Structurale (IBS), 71, Avenue des Martyrs, F-38044 Grenoble, France

Abstract. We introduce ssNMRlib, a comprehensive suite of pulse sequences and jython scripts for user-friendly solid-state NMR data acquisition, parameter optimization and storage on Bruker spectrometers. ssNMRlib allows the straightforward setup of even highly complex multi-dimensional solid-state NMR experiments with a few clicks, from an intuitive graphical interface directly from the Bruker Topspin acquisition software. ssNMRlib allows the setup of experiments in a magnetic-field independent manner, and thus facilitates the workflow it in a multi-spectrometer setting with a centralized library. Safety checks furthermore assist the user in experiment setup. Currently hosting more than 140 1D to 4D experiments, primarily for biomolecular solid-state NMR, the library can be easily customized and new experiments are readily added as new templates. ssNMRlib is part of the previously introduced NMRlib library, which comprises many solution-NMR pulse sequences and macros.

Alicia Vallet et al.

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Alicia Vallet et al.

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Short summary
We introduce ssNMRlib, a library of pulse sequences and jython scripts for user-friendly setup and acquisition of solids-state NMR experiments. ssNMRlib facilitates all steps of data acquisition, including calibration of various pulse-sequence parameters and semi-automatic setup of even complex high-dimensional experiments, using an intuitive graphical user interface, launched directly within Bruker's Topspin acquisition program.
We introduce ssNMRlib, a library of pulse sequences and jython scripts for user-friendly setup...
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