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

We introduce ssNMRlib, a comprehensive suite of pulse sequences and jython scripts for user-friendly solid-state nuclear magnetic resonance (NMR) data acquisition, parameter optimization and storage on Bruker spectrometers. ssNMRlib allows the straightforward setup of even highly complex multi-dimen...

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Detalles Bibliográficos
Autores principales: Vallet, Alicia, Favier, Adrien, Brutscher, Bernhard, Schanda, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Copernicus GmbH 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500710/
https://www.ncbi.nlm.nih.gov/pubmed/37904819
http://dx.doi.org/10.5194/mr-1-331-2020
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author Vallet, Alicia
Favier, Adrien
Brutscher, Bernhard
Schanda, Paul
author_facet Vallet, Alicia
Favier, Adrien
Brutscher, Bernhard
Schanda, Paul
author_sort Vallet, Alicia
collection PubMed
description We introduce ssNMRlib, a comprehensive suite of pulse sequences and jython scripts for user-friendly solid-state nuclear magnetic resonance (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 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.
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spelling pubmed-105007102023-10-30 ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers Vallet, Alicia Favier, Adrien Brutscher, Bernhard Schanda, Paul Magn Reson (Gott) Research Article We introduce ssNMRlib, a comprehensive suite of pulse sequences and jython scripts for user-friendly solid-state nuclear magnetic resonance (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 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. Copernicus GmbH 2020-12-23 /pmc/articles/PMC10500710/ /pubmed/37904819 http://dx.doi.org/10.5194/mr-1-331-2020 Text en Copyright: © 2020 Alicia Vallet et al. https://creativecommons.org/licenses/by/4.0/This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this licence, visit https://creativecommons.org/licenses/by/4.0/
spellingShingle Research Article
Vallet, Alicia
Favier, Adrien
Brutscher, Bernhard
Schanda, Paul
ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title_full ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title_fullStr ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title_full_unstemmed ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title_short ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers
title_sort ssnmrlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on bruker spectrometers
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500710/
https://www.ncbi.nlm.nih.gov/pubmed/37904819
http://dx.doi.org/10.5194/mr-1-331-2020
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