vm_pseq /

Filename Size Date modified Message
2.8 KB
README.md edited online with Bitbucket
6.4 KB
qcahsqc, qhsqc: fixed abort() to work with newer versions of vnmrj
9.8 KB
added parameter descriptions to qechsqc
6.5 KB
qcahsqc, qhsqc: fixed abort() to work with newer versions of vnmrj
7.9 KB
fixed delay modulation: seq_mod for alternate modulations was not fully removed causing default to static/no modulation. now only single modulation possible.
11.4 KB
q-inept-ct and q-inept-2d added
12.7 KB
q-inept-ct and q-inept-2d added

vm_pseq

This repository contains various pulse sequences for Varian/Agilent spectrometers, such as

  • QEC-HSQC
  • Q-HSQC
  • Q-INEPT-CT

Setup

Copy the sequence files to your relevant vnmrsys/psglib/ and set seqfil to the corrsponding pulse sequence name though VNMRJ command line. e.g.

seqfil='qechsqc'

Then crete the needed parameters using create(), e.g.

create('gzlvl3')
create('cpulsetype', 'string')

Please look the sequence files for needed parameters and their descriptions. The publications provide more information.

Publications

Quantitative, equal carbon response HSQC experiment, QEC-HSQC Valtteri Mäkelä, Jussi Helminen, Ilkka Kilpeläinen, Sami Heikkinen Journal of Magnetic Resonance. 271, 34-49. http://dx.doi.org/10.1016/j.jmr.2016.08.003 (2016)

Quantitative 13C NMR Spectroscopy using refocused constant-time INEPT, Q-INEPT-CT Mäkelä, A. V. , Kilpeläinen, I. & Heikkinen, S. Journal of Magnetic Resonance. 204, 124-130 (2010)

http://www.sciencedirect.com/science/article/pii/S1090780710000467

Some aspects of quantitative 2D NMR, Harri Koskela, Ilkka Kilpelainen, Sami Heikkinen, Journal of Magnetic Resonance. 174, 237-244 (2005)

http://www.sciencedirect.com/science/article/pii/S1090780705000236

License

BSD 3-Clause. See: https://opensource.org/licenses/BSD-3-Clause

Copyright 2017 Valtteri Mäkelä

Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:

  1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.

  2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.

  3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.