Semi-real-time pure shift NMR spectroscopy

Published: 26 Apr 2018 | Version 1 | DOI: 10.17632/wc57dfv6zs.1
Contributor(s):

Description of this data

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
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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

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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
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Pulse sequence files [\psglib]

kp_ifPSZS_1d_01.c
kp_rtPSZS_1d_02.c
kp_srtPSZS_1d_02.c
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Experiment data files

Steps to reproduce

Full code and parameter files supplied

peer reviewed

This data is associated with the following peer reviewed publication:

Semi-real-time acquisition for fast pure shift NMR at maximum resolution

Published in: Journal of Magnetic Resonance

Latest version

  • Version 1

    2018-04-26

    Published: 2018-04-26

    DOI: 10.17632/wc57dfv6zs.1

    Cite this dataset

    Morris, Gareth; Kiraly, Peter; Nilsson, Mathias (2018), “Semi-real-time pure shift NMR spectroscopy”, Mendeley Data, v1 http://dx.doi.org/10.17632/wc57dfv6zs.1

Institutions

University of Manchester

Categories

Nuclear Magnetic Resonance Spectroscopy

Licence

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