semiconstant time evolution

From: David A. Horita (dhorita@wfubmc.edu)
Date: Mon Sep 22 2008 - 07:02:56 PDT


Hi,
Can anyone show me how to program (XwinNMR 3.5pl6) the hyperbolic
semiconstant time evolution periods of Lin & Wagner (1999, J. Biomol.
NMR, 15:227)?
So far what I've tried won't pass through ased and gives and error with
pulsdisp. I've had problems in the past with coding too much run-time
math. I've also put the initial if loop into a compile-time, rather
than run-time loop but it didn't help.
 
Thanks,
David
 
(basic framework; hangs ased):
 
if "td1 > 2*(3.6m/in0+1)" goto lab11 ; t1max > 4del
  3u ; t1max < 4del
  "AT=(td1 / 2 - 1) * in0"
  goto lab12
lab11, 3u ; t1max > 4del
  if "d0 >= 3.6m" goto lab2 ; & t1 > 4del
lab1, 3u ; & t1 < 4del
  "xi=1/(1/d0+1/(2*del))" ; d0 < 2*del
  "d20=d0-xi"
  "d28=del-xi"
  goto lab20
lab2, 3u ; t1max > 4del & t1 >
4del
  "xi=del"
  "d20=3u+d0-xi"
  "d28=3u"
  goto lab20
 
lab12, 3u ; t1max < 4del
  "xi=1/(1/d0+1/del-2/AT)"
  "d20=d0-xi"
  "d28=del-xi"
  goto lab20
 
lab20, 3u
  (H1_90 ph11):H
  d0
  del
  (C13_180:sp2 ph0):C
  d20
  (H1_180 ph0):C
  d28
  (H1_90 ph1):H
 
 
 

----------------------
David A. Horita, Ph.D.
Department of Biochemistry
Wake Forest University School of Medicine
Winston-Salem, NC 27157-1016
Tel: 336 713-4194
Fax: 336 716-7671
email: dhorita@wfubmc.edu <mailto:dhorita@wfubmc.edu>
web: http://www1.wfubmc.edu/biochem/faculty/Horita.htm
<http://www1.wfubmc.edu/biochem/faculty/Horita.htm/>
 



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