;cpfprfdr (TopSpin 3.0) ;2D exchange NMR in rotating solids ;modified by dan ;Proton offset at LG frequency during mix to avoid HH transfer ;use TPPI for transform, phases will be dispersive ;Avance III version ;parameters: ;d1 : recycle delay ;d0 : =1u t1 evolution period ;in0 : = d9 ;pl1 : X power level ;pl1 : power level for X pulses ;sp0 : carbon power level during contact ;pl2 : proton power level during contact ;pl12 : power level for H 90 ;pl22 : standard proton decoupling ;pcpd2 : pulse length in decoupling sequence ;p15 : contact time at pl1 (C) and pl2 (H) ;p10 : pulse length for FSLG shape ;p3 : H 90 degree pulse ;p1 : X 90 degree pulse ;p2 : X 180 degree pulse ;cpdprg2 : Sequence used for decoupling in t1 t2 (tppm15, cw, etc.) ;cpdprg1 : cwlg, using pl13 ;cpdprg3 : Sequence for decoupling in mixing ;spnam0 : file name for variable amplitude CP ;cnst10 : Frequency reset to Carrier (o1, usually ~100 ppm) ;cnst20 : proton RF field to calculate LG parameters ;cnst21 : =0, proton offset ;cnst22 : +ve Lee-Goldburg offset ;cnst24 : additional Lee-Goldburg offset ;cnst26 : RFDR offset ppm ;cnst31 : spinning frequency ;$COMMENT=exchange NMR (RFDR) in rotating solids, rotor synchronized ;$CLASS=Solids ;$DIM=2D ;$TYPE=cross polarisation ;$SUBTYPE=homonuclear correlation ;$OWNER=Bruker #include ; defines which channel corresponds to which nucleus #include ;calculate p5 and frequency offsets cnst22 and 23 #include ;###################################################### ;# Define CORD # ;###################################################### "d31=1s/cnst31" "p11=(1s/cnst31)/2" "d11=30m" ;"d2=p2" define delay tau "tau=1s/cnst31-p2/2" ;define delay mix ;"mix=d31-vd-p2/2" define list Dlist1 = { 0.0000000 0.0000050 0.0000100 0.0000150 0.0000200 0.0000250 0.0000300 0.0000350 0.0000400 0.0000450 0.0000500 0.0000550 0.0000600 0.0000650 0.0000700 0.0000750 } define list Dlist2 = { 0.0000750 0.0000700 0.0000650 0.0000600 0.0000550 0.0000500 0.0000450 0.0000400 0.0000350 0.0000300 0.0000250 0.0000200 0.0000150 0.0000100 0.0000050 0.0000000 } ;define list Dlist1 = { 0.0000000 0.0000047 0.0000094 0.0000141 0.0000188 0.0000235 0.0000282 0.0000329 0.0000376 0.0000423 0.0000470 0.0000517 0.0000564 0.0000611 0.0000658 0.0000705 } ;define list Dlist2 = { 0.0000705 0.0000658 0.0000611 0.0000564 0.0000517 0.0000470 0.0000423 0.0000376 0.0000329 0.0000282 0.0000235 0.0000188 0.0000141 0.0000094 0.0000047 0.0000000 } ;###################################################### ;########################## "d0=1u" ;# t1_init => 0, 0 # ;########################## "l0=0" ; #/* house keeping for detection in t1, start at t1=0 for flat baseline */ "acqt0=0" ;###################################################### ;# Start of Active Pulse Program # ;###################################################### "cnst10=o1" ; set cnst10 to 13C o1 #include ;allows max. 50 msec acquisition time, supervisor ;may change to max. 1s at less than 5 % duty cycle ;and reduced decoupling field trigg 1 ze d31 do:H 2 10m do:H d1 ;###################################################### ;# Initial excitation # ;###################################################### 1u trigpe4 ;MAS trigger (p3 pl12 ph1):H (p15 pl1 ph2):C (p15:sp0 ph10):H ;###################################################### ;# CT Tau-t1 evolution # ;###################################################### (0.1u fq=cnst26(bf ppm)):C (0.1u cpds3):H ; switch to selected frequency; turn LG dec (Dlist1 p2 pl11 ph3 Dlist2):C (d31 cpds3):H ;turn tppm dec on 0.1u do:H (Dlist1 p2 pl11 ph3 Dlist2):C (d31 cpds2):H ;turn tppm dec on (0.1u fq=cnst10(bf hz)):C ;put carrier to o1p ;####################################################### ;# Acquisition # ;####################################################### go=2 ph31 1m do:H 10m wr #0 if #0 Dlist1^ Dlist2^ lo to 1 times td1 HaltAcqu, 1m 6 exit ;##################################### ;# Phase Cycle # ;##################################### ph0= 0 ph1= 1 3 ph2= 0 0 2 2 1 1 3 3 ph3= 0 0 2 2 1 1 3 3 ph10= 0 ph31= 0 2 2 0 1 3 3 1 ;##################################### ;# END SEQUENCE # ;#####################################