Journal of Magnetic Resonance
ISSN: 1090-7807
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For reference, see: Jump-and-return sandwiches: A new family of binomial-like selective inversion sequences with improved performance. T. Brenner, J. Chen, T. Stait-Gardner, G. Zheng, S. Matsukawa & W.S. Price, J. Magn. Reson. 288, 100 - 108 (2018). Double PFG echo sequences for selective suppression of NMR coherences. These pulse sequences have been prepared for spectrometers running Bruker's Topspin. The selectivity of the inversion pulse employed for a given total pulse time surpasses that of all published inversion pulses, including the commonly used W3 and W5. The pulse sequences employ Jump-and-Return Sandwiches with 6, 8, 10, 12 or 20 pulses. The sandwich is employed twice (hence, a double PFG echo is recorded). Title coding: zggpJRSN_NN: N indicates the total number of pulses in the JRS. NN, where stated, indicates whether the sequences belongs to Optimisation Set 1 or 2, as described in the original paper. For use of the pulse sequences, copy to the appropriate folder of Topspin. Note: certain versions of Topspin will not recognize imported files. A simple solution is to open a pulse sequence (e.g., zg), save it under a new name, then edit it (copy and paste the text from the file you wish to import).
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Pulse sequence code, macros, and example data for 1D band-selective semi-real-time pure shift NMR experiments Peter Kiraly, Mathias Nilsson, Gareth A. Morris NMR Methodology Group University of Manchester Nov 2017 ============================================================================================================= Experimental data [\data] \data\Fig-3 Sample details: 5mM cyclosporine in CD2Cl2 a.fid conventional proton experiment b.fid time-shared homodecoupling c/d/e/f_raw-data.fid raw data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments c/d/e/f_proc-data.fid processed data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments \data\Fig-4 Sample details: 0.05mM cyclosporine in CD2Cl2 a.fid conventional proton experiment b.fid time-shared homodecoupling c/d/e/f_raw-data.fid raw data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments c/d/e/f_proc-data.fid processed data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments Left and Right in filenames refers to the selected NH and CH region \data\Fig-5 Sample details: 0.58M 2,3-dibromothiophene in dmso-d6 (doped with chromium-acetylacetonate) a.fid conventional proton experiment b.fid time-shared homodecoupling without BS compensation c.fid time-shared homodecoupling with BS compensation d/e/f/g_raw-data.fid raw data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments d/e/f/g_proc-data.fid processed data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments \data\Fig-6 Sample details: 5mM cyclosporine in CD2Cl2 a.fid time-shared homodecoupling b.fid 1D band-selective TOCSY c.fid 1D sleective DQF-COSY d.fid conventional proton \data\Fig-7 Sample details: 2.5mM mixture of R/S-ibuprofen and 10mM beta-cyclodextrin in D2O a.fid conventional proton experiment b.fid time-shared homodecoupling using 10Hz SEDUCE-2 c.fid time-shared homodecoupling using 25Hz DSNOB d/e/f/g_raw-data.fid raw data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments d/e/f/g_proc-data.fid processed data of interferogram/real time/WATERGATE-semi-real-time/semi-real-time experiments ============================================================================================================= Macro files [\maclib] go_kp_ifPSZS_1d_01 go_kp_rtPSZS_1d_02 go_kp_srtPSZS_1d_02 kp_ifZSproc2 kp_makePS7 kp_makePS9 kp_rtACQ31_proc_v3 kp_srtACQ31_proc_v6 ============================================================================================================= Pulse sequence files [\psglib] kp_ifPSZS_1d_01.c kp_rtPSZS_1d_02.c kp_srtPSZS_1d_02.c =============================================================================================================
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This data set contains the raw data of chirp echo FT EPR-detected NMR experiments recorded on our home-built spectrometer. The spectrometer is operated via MATLAB, and the data is also in .mat files. Additionally, the data set contains the MATLAB scripts that were used to generate the figures of one of our publications. Please consult the SI of our open access article in the Journal of Magnetic Resonance.
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FORTRAN code for unbiased, phase invariant estimation of NMR relaxation rate.
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LiFePO4: 7Li and 31P solid-state MAS NMR data of LiFePO4 at 7.05 T. La2NiO4: 17O solid-state MAS variable-temperature NMR of La2NiO4 at 16.4 T, at 79°C and 148°C. B-Nb2O5: Raw XRD data (B-Nb2O5) as plotted in supplementary information. 93Nb solid-state (static) NMR data of B-Nb2O5 at 16.4 T. Calculations of NMR parameters of B-Nb2O5 as output from the solid-state density functional theory (DFT) code CASTEP, on both relaxed and ICSD structures. All experimental and computational parameters are given in the article and/or data files.
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Data to figure 7 in the related publication: Scattering parameter (input port voltage reflection coefficient) of transmit network of NQR probehead from 40 MHz to 140 MHz
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Related Article: D.Zilic, D.Pajic, M.Juric, K.Molcanov, B.Rakvin, P.Planinic, K.Zadro|2010|J.Magn.Reson.|207|34|doi:10.1016/j.jmr.2010.08.005,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.,
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Related Article: D.Zilic, D.Pajic, M.Juric, K.Molcanov, B.Rakvin, P.Planinic, K.Zadro|2010|J.Magn.Reson.|207|34|doi:10.1016/j.jmr.2010.08.005,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.,
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Related Article: K.A.Kozhanov, M.P.Bubnov, V.K.Cherkasov, G.K.Fukin, N.N.Vavilina, L.Yu.Efremova, G.A.Abakumov|2009|J.Magn.Reson.|197|36|doi:10.1016/j.jmr.2008.11.012,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.,
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Related Article: S.P.Graether, J.S.DeVries, R.McDonald, M.L.Rakovszky, B.D.Sykes|2006|J.Magn.Reson.|178|65|doi:10.1016/j.jmr.2005.08.010,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.,
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