Nutation NMR pulse programs




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Some nutation NMR pulse programs for half-integer quadrupole spins are provided for Bruker spectrometers.

SF = BF1 + SR (Larmor frequency of reference sample)

SFO1 = BF1 + O1 (spectrometer frequency)


*** Outline ***


AVANCE III spectrometers
with topSpin2.1 operating system

amplitude-modulated
experiments:

  • Z-filter
    The same pulse program as that defined for XWINNMR 3.5 operating system
  • SPAM-echo/antiecho (2D only)
    The only change is the addtion of 3u delay before the two signal storage lines in the pulse program for XWINNMR 3.5 operating system
  • MQMAS data processing:
    Shearing the 2D spectrum with AU program xfshear

phase-modulated
experiments:

  • Multiplex SPAM (2D only)
    The same pulse program as that defined for XWINNMR 3.5 operating system
  • The AU program MSM (Multiplex SPAM MQ) remains valid


1-dimensional QCPMG experiments:

  • qcpmg.fau, pulse program for performing CPMG experiment via SGU in channel 1, which samples continuously.
  • qcpmgadd.jt from Julien Trébosc, AU program to store echos from qcpmg.fau experiment by adding them up. Use absolute scale for Y-axis to check the amplitude of echo in the FID window.
    If digmod is used, convert data to analog with convdta command.
    ALWAYS use this AU program on a COPY of dataset.
  • qcpmg-split, AU program for splitting CPMG echo train acquired with qcpmg.fau pulse program. These echoes allow T2 measurement.
    ALWAYS use this AU program on a COPY of dataset.
  • hpdeccpmg.fau, pulse program for performing high power decoupling experiment with CPMG detection via SGU in channel 1, which samples continuously
  • cpcpmg.fau, pulse program for performing basic cross-polarisation experiment with CPMG detection via SGU in channel 1, which samples continuously


CPMAS experiments:

  • hpdec, pulse program for performing high power decoupling experiment.
    (1) Tutorial (PDF file, 9 Mb) on "Heteronuclear spin decoupling in magic-angle-spinning solid-state NMR", by Matthias Ernst, ETH Zürich, 2008.
    (2) Tutorial (PDF file, 3 Mb) on "Manipulating the Hamiltonian: decoupling and recoupling", by Jeremy Titman, School of Chemistry, University of Nottingham.
    (3) Tutorial (PDF file, 4 Mb) on "Numerical methods for pulse sequence optimisation", by Lyndon Emsley, Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, and Institut Universitaire de France.
  • cp, pulse program for performing CPMAS experiment.
  • cp2DF1PH (1D or 2D), pulse program for performing HETCOR experiment.
  • lgcalc.INCL.
  • hxhetcor (2D only), pulse program for performing hetero-nuclear correlation experiment.
  • mqhetcor, pulse program for performing 3Q hetero-nuclear correlation experiment for spin-5/2, spin-7/2, and spin-9/2 systems.


Bruker Biospin manuals (PDF file)

Other manuals (PDF file)

AU programs

Jython

The C++ Resources Network > Reference > C Library > cstdio(stdio.h)

Installing and setting up Topspin (PDF file)

AVANCE spectrometers
with xwinnmr 3.5 operating system

These pulse programs are available for both 1D and 2D NMR experiments.

amplitude-modulated
experiments:

phase-modulated
experiments:


1-dimensional experiments:

  • qcpmgall.av, pulse program which samples continuously, including ALL pulses and ringdown delays
  • au_qcpmg, AU program which takes out data points sampled during pulses and ring down delays.
    If digmod is used, convert data to analog with convdta command.
    ALWAYS use this AU program on a COPY of dataset.
  • qcpmgaddjt from Julien Trébosc, AU program which stores echos from qcpmgall.av pulse program by adding them up.
    Use absolute scale for Y-axis to check the amplitude of echo in the FID window.
    If digmod is used, convert data to analog with convdta command.
    ALWAYS use this AU program on a COPY of dataset.
  • qcpmgsplit, AU program for splitting CPMG echo train acquired with qcpmgall.av pulse program. These echoes allow T2 measurement.
  • hpdecqcpmgall.av, pulse program for performing CPMG experiment with high power decoupling , which samples continuously, including ALL pulses and ringdown delays
  • cpqcpmgall.av, pulse program for performing basic cross-polarisation experiment with CPMG detection, which samples continuously, including ALL pulses and ringdown delays


AVANCE hardware

Acquisition commands and parameters

Processing commands and parameters

Au programming

Z-filtered STMAS pulse program

One pulse program with digital phase for the receiver

Ecole Polytechnique Fédérale de Lausanne: Experimental aspects of NMR (PDF file)

Bruker NMR guide, version 3.5

Iowa State University - Mei Hong research group

AVANCE AQX spectrometers
with xwinnmr 2.6 operating system

1-dimensional experiments:


MSL and ASX spectrometers

1-dimensional experiments:

2-dimensional experiments:


TopSpin file folder tree

topspin file folder tree


TopSpin BSMS

topspin BSMS

Enter bsmsdisp on the command line

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