wpmlgd2: homonuclear dipole-dipole windowed-pmlg decoupling pulse program for TopSpin2.1

Code for Avance III spectrometers with topSpin2.1 operating system

;wpmlgd2 (TOPSPIN 2.1)
;windowed PMLG homonuclear decoupling, after Leskes, Madhu, and Vega, Chem. Phys. Lett., in press,
;with 180 degree phase alternation
;digital mode
;using shapes for wpmlg
;HF 26.09.07
;spin 10-15 kHz according to RF field
;set: 
;p9 2.4-4.5 usec, depending on probe deadtime, usually:
;for 200 and 300 MHz, CRAMPS probe required or use 4.5 usec
;use digital mode, swh=10-20 kHz
;before ft, set s sw=sw/0.47

;set:
;d1 : recycle delay

;p1 : proton 90 degree pulse at pl12
;set o1p around 10 ppm or -4 ppm, usually better on left side of spectrum

;pl12 : power level for initial pulses
;pl13 : power level for pmlg, set cnst20 to RF field at pl13, for simplicity, use pl13=pl12
;       sensible proton RF-field: 80 000 Hz for 300-400 MHz proton frequency, 100000 for 500-600 MHz
;       120000 for 600 MHz and higher (due to probe bandwidth differences)
;ns=n*4
;spnam1=m5m or m3m, m5p or m3p 
;p5 is the 294 degree pulse 
;shape consists of 10 (6) slices of length 2*p5/10 (/6), 
;set cnst20 for approximate RF field, adjust power for best result, 
;shape duration recalculated so slice is a multiple of 100 ns
;set l11=number of oversampled datapoints to be sampled, 8-32 depending on
;    available window, check acqu in ased for sensible value.
;n.b.: scaling factor differs from wpmlg!

;$COMMENT=homonuclear decoupling with w-pmlg
;$CLASS=Solids
;$DIM=1D
;$TYPE=homonuclear decoupling
;$SUBTYPE=explicit acquisition

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

dwellmode auto

#include <Avancesolids.incl>
#include <Delayssolids.incl>
#include <lgcalc.incl>   /*;set cnst20 to RF field at pl13, wpmlg pulse calculated as multiple of 100 ns */

  "sp1=pl13"
  "d3=p9"                       ;p9 sets the window to make sure it is in micorseconds
  "d9=0.1u*(l11)"               ;set the sampling window in Avancedru.incl
  "blktr2 = 0.7u"               ;this opens the transmitter gate 0.7 usec before the
                                ;pulse, so the transmitter noise is not sampled

define delay dead
  "dead=1.2u"
define delay acqu               ;small window, defined by d3, 2.5-4.5 usec depending
  "acqu=2*p9-1.2u-d9-.1u"       ;on probe deadtime large window-sampling period
                                ;make sure shape slice durations are a multiple of 0.1 usec
define loopcounter smooth
  "smooth=10*p5"
define pulse polish
  "polish=1u*smooth/10"
define pulse wpmlg
  "wpmlg=2*polish"
define delay cycle
  "cycle=4*p9+2*wpmlg+.2u"
define loopcounter count
  "count=aq/cycle"              ;make sure td datapoints are sampled
define delay rest               ;make sure sampling proceeds throughout the sequence
  "rest=aq-(count*cycle)"


1 ze                            ;acquire into a cleared memory
2 d1 pl12:f1                    ;recycle delay, set power level for the first pulse
  10u reset1:f1                 ;synchronise pulse and detection RF
  STARTADC                      ;prepare adc for sampling, set reference frequency, defined in Avancedru.incl
  RESETPHASE                    ;reset reference phase
  1u rpp10                      ;reset phase list pointer
  p1:f1 ph1                     ;first 90 at pl12
  .1u DWL_CLK_ON
4 dead
  acqu
  d9 RG_ON
  .1u RG_OFF                    ;take l11  complex data points	
  (wpmlg:sp1  ph10^):f1         ;select shape
  dead
  acqu
  d9 RG_ON
  .1u RG_OFF
  (wpmlg:sp1  ph10^):f1
  lo to 4 times count           ;make sure td points are sampled
  rest
  1u  DWL_CLK_OFF
  rcyc=2                        ;next scan
5 100m wr #0                    ;save data
6 exit                          ;finished



ph0= 0
ph1= 0 1 2 3
ph10=0 2
ph30=0                          ;needed for acquisition, involved in RESETPHASE
ph31=0 1 2 3                                            ;involved in STARTADC