caa a22 4500 44532533X CHVBK 20180317142718.0 cr unu---uuuuu 170323e20111201xx s 000 0 eng 10.1007/s10858-011-9569-2 doi (NATIONALLICENCE)springer-10.1007/s10858-011-9569-2 A software framework for analysing solid-state MAS NMR data [Elektronische Daten] [Tim Stevens, Rasmus Fogh, Wayne Boucher, Victoria Higman, Frank Eisenmenger, Benjamin Bardiaux, Barth-Jan van Rossum, Hartmut Oschkinat, Ernest Laue] Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data. The Author(s), 2011 Solid-state MAS NMR nationallicence CCPN nationallicence Experiment nomenclature nationallicence Software nationallicence Data model nationallicence Stevens Tim Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut Fogh Rasmus Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut Boucher Wayne Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut Higman Victoria Department of Biochemistry, University of Oxford, South Parks Road, OX1 3QU, Oxford, UK aut Eisenmenger Frank Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut Bardiaux Benjamin Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut van Rossum Barth-Jan Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut Oschkinat Hartmut Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut Laue Ernest Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut Journal of Biomolecular NMR Springer Netherlands 51/4(2011-12-01), 437-447 0925-2738 51:4<437 2011 51 10858 https://doi.org/10.1007/s10858-011-9569-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10858-011-9569-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Stevens Tim Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut NATIONALLICENCE 700 1- Fogh Rasmus Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut NATIONALLICENCE 700 1- Boucher Wayne Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut NATIONALLICENCE 700 1- Higman Victoria Department of Biochemistry, University of Oxford, South Parks Road, OX1 3QU, Oxford, UK aut NATIONALLICENCE 700 1- Eisenmenger Frank Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut NATIONALLICENCE 700 1- Bardiaux Benjamin Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut NATIONALLICENCE 700 1- van Rossum Barth-Jan Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut NATIONALLICENCE 700 1- Oschkinat Hartmut Department of Structural Biology, Leibniz-Institut für Molekulare Pharmakologie, Robert-Roessle-Str. 10, 13125, Berlin, Germany aut NATIONALLICENCE 700 1- Laue Ernest Department of Biochemistry, University of Cambridge, CB2 1GA, Cambridge, UK aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Springer Netherlands 51/4(2011-12-01), 437-447 0925-2738 51:4<437 2011 51 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer