DFS WURST QCPMG pulse program for topSpin2.1 operating system
Contributor: Christian Bonhomme




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Carr-Purcell-Meiboom-Gill echo train


*** Outline ***


Code for Avance III spectrometers with topSpin2.1 operating system

; dfs_wurst_qcpmg.cb
; written by Stefan Steuernagel, modified by ivan
; pulse program for quadrupolar CPMG sequence
; samples continuously, including ALL pulses and ringdown delays
; may be used with digmod digital
; important: only runs via SGU in channel 1
; for dfs, see pages 169-182 of AVANCE solids user manual

;parameters:

;d1 : recycle delay
;d3 : = time to allow pulse ringdown 10 to 100 us
;d4 : short delay between DFS sweep and read out pulse
;d6 : = duration of echo

;pl1: =120 dB, not used
;sp1: power level for DFS sweep
;sp2: power level for WURST pulse

;spnam1 : dfs, set by AU program zg_dfs
;aunm   : zg_dfs, AU program to calculate DFS sweep duration p2 
;         then start acquisition with the command xaua

;p1 : WURST (Wideband, Uniform Rate, and Smooth Truncation) pulse duration
;p2 : DFS sweep duration
;p25: dummy pulse, used for calculations only
;l22 : # of echos to be acquired

;cnst1 : (in kHz) Startfrequency of DFS sweep
;cnst2 : (in kHz) Endfrequency of DFS sweep
;cnst3 : (in ns) timing resolution of DFS sweep, down to 25 ns
;cnst31: non zero spinning frequency even for static sample
;cnst0 : to define DFS sweep as fraction or multiples of rotor period
;setTD : ensure TD exceeds this number
;spiksep : spikelet separation in Hz
;d25 : used for showing setTD in ased
;d26 : used for showing spikesep in ased
;ns : 8*n

;$COMMENT=quadrupolar CPMG sequence, samples continuously, pulses blanked out, requires DRU
;$CLASS=Solids
;$DIM=1D
;$TYPE=half integer quadrupoles
;SUBTYPE=simple 1D
;$OWNER=ivan

#include <Avancesolids.incl>

define delay echod
  "echod=((d6+2u-p1)/2)"

define delay setTD
  "setTD=(l22*(d3+p1+d3+1u+d6+1u)+d3+2u)/dw"
  "d25=setTD"

define delay spikesep
  "spikesep=(1/(d3+p1+d3+1u+d6+1u))"
  "d26=spikesep"

  "p25=(1u*cnst1/(cnst3+cnst2))+1u"
  "p2=1s/(cnst31*cnst0)"

;cnst11 : to adjust t=0 for acquisition, if digmod = baseopt
"acqt0=1u*cnst11"

1 ze                      ;clear data
2 d1                      ;relaxation delay
  (p2:sp1 ph0):f1         ;DFS shape pulse
  d4
  STARTADC                ;(1u sync 1u adc ph31 syrec)
  RESETPHASE              ;(1u ph30:r):f1
  1u RG_OFF               ;setrtp1^5
  (p1:sp2 ph1):f1         ;WURST shape pulse
  echod

3 d3
  (p1:sp2 ph2):f1         ;WURST shape pulse
  d3
  1u DWL_CLK_ON           ;setrtp1|0  start acquisition
  d6 RG_ON                ;setrtp1|5
  1u RG_OFF               ;setrtp1^5
  lo to 3 times l22       ;next echo

  d3
  1u RG_OFF               ;setrtp1^5
  1u DWL_CLK_OFF          ;setrtp1^0  stop acquisition
  rcyc=2                  ;next scan
  10m wr #0               ;save data
exit

ph0=  0
ph1=  0 0 1 1 2 2 3 3
ph2=  1 3 2 0 3 1 0 2
ph30= 0
ph31= 0 0 1 1 2 2 3 3
  

References

  1. Alan W. MacGregor, Luke A. O’Dell, and Robert W. Schurko
    New methods for the acquisition of ultra-wideline solid-state NMR spectra of spin-1/2 nuclides, (119Sn, 195Pt, 199Hg, 207Pb, WURST-CPMG)
    J. Magn. Reson. 208, 103-113 (2011).
    Abstract
     
  2. Ivan Hung and Zhehong Gan
    On the practical aspects of recording wideline QCPMG NMR spectra,
    J. Magn. Reson. 204, 256-265 (2010).
    Abstract
     
  3. Vladimir I. Bakhmutov
    On Hahn-echo measurements of short 29Si T2 times in some silica-based materials
    Solid State Nucl. Magn. Reson. 36, 164-166 (2009).
    Abstract
     
  4. W. J. Malfait and W. E. Halter
    Increased 29Si NMR sensitivity in glasses with a Carr-Purcell-Meiboom-Gill echotrain
    J. Non-Cryst. Solids 354, 4107-4114 (2008).
    Abstract
     
  5. J. W. Wiench, V. S.-Y. Lin, and M. Pruski
    29Si NMR in solid state with CPMG acquisition under MAS
    J. Magn. Reson. 193, 233-242 (2008).
    Abstract
     
  6. Julien Trebosc, Jerzy W. Wiench, Seong Huh, Victor S.-Y. Lin, and Marek Pruski
    Studies of organically functionalized mesoporous silicas using heteronuclear solid-state correlation NMR spectroscopy under fast magic angle spinning
    J. Am. Chem. Soc. 127, 7587-7593 (2005).
    Abstract
     
  7. Dimitris Sakellariou, Jacques-François Jacquinot, and Thibault Charpentier
    2D correlation spectra of isotropic and anisotropic 29Si chemical shifts in crystalline and amorphous natural abundance materials under very slow sample rotation
    Chem. Phys. Lett. 411, 171-174 (2005).
    Abstract
     
  8. Jian Zhi Hu and Robert A. Wind
    Sensitivity-enhanced phase-corrected ultra-slow magic angle turning using multiple-echo data acquisition
    J. Magn. Reson. 163, 149-162 (2003).
    Abstract
     
  9. Flemming H. Larsen and Ian Farnan
    29Si and 17O (Q)CPMG-MAS solid-state NMR experiments as an optimum approach for half-integer nuclei having long T1 relaxation times
    Chem. Phys. Lett. 357, 403-408 (2002).
     
  10. Andrew S. Lipton, Jesse A. Sears, and Paul D. Ellis
    A general strategy for the NMR observation of half-integer quadrupolar nuclei in dilute environments
    J. Magn. Reson. 151, 48-59 (2001).
    Abstract
     
  11. H. Y. Carr and E. M. Purcell
    Effects of diffusion on free precession in nuclear magnetic resonance experiments
    Phys. Rev. 94, 630-638 (1954).
    PDF file (2.2 MB)
     

  1. D. Li, A. E. Dementyev, M. Liu, and S. E. Barrett
    NMR studies of spin decoherence in phosphorus-doped silicon
    PDF file (600 kB)
     
  2. B. Blümich
    Introduction to mobile NMR
    PDF file (4.5 MB)
     

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[Contact me] - Last updated Last updated December 16, 2012
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