; Doneshot45 for 19F C.F. Tormena and G. Dal Poggetto ; ; DOSY pulse sequence ; ; Ralph Adams, Juan Aguilar, Adolfo Botana, Mathias Nilsson and Gareth Morris ; University of Mancheste/University of Copenhagen ; Release 1.0 (30Mar2012) ; ; Source citation: ;Dal Poggetto, G.; Favaro, D.; Nilsson, M.; Morris, G. A.; Tormena, C. F; Magn. Reson. Chem. 52, 172-177, 2014. ; ; A. Botana, J.A. Aguilar, M. Nilsson, G.A. Morris, J. Magn. Reson. 208 (2011) 270-278. ; ; ; Other relevant papers that could be of use include: ; M.D. Pelta, G.A. Morris, M.J. Stchedroff, S.J. Hammond, Magn. Reson. Chem. 40 (2002) S147-S152. ; ;MN 30Nov11 Changed CTP gradients to gp2 and neatened up the comments ;MN 21Mar12 Sorted out the magnitude of cnst17 and cnst18 ;MN 21Mar12 Added instruction to comment out acqt0 line if Topspin < 2.0 ;MN 27Mar12 Changed phase cycling syntax to simple table. Not confident parser does what we hope for the compact version ;MN 30Mar12 Converting the Oneshot sequence to Oneshot45 ; ;2D Doneshot45 DOSY pulse sequence ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include #include #include #include define list diff= "cnst17=(2*p1+d16+p30)*0.000001"; Dtau ;Assuming square gradient pulses ;"cnst18=0.000001*p30*2*0.000001*p30*2*(d20+(0.000001*p30/3)* (cnst14*cnst14-2)+((cnst17)/2)*(cnst14*cnst14-1))" ; Dosytimecubed ;Assuming half-sine gradient pulses [most common on Bruker systems] "cnst18=0.000001*p30*2*0.000001*p30*2*(d20 - (2*0.000001*p30*(5-3*cnst14*cnst14)/16) - (cnst17*(1-cnst14*cnst14)/2) )" ; Dosytimecubed "cnst15=1+cnst14" ; 1 + alpha "cnst16=1-cnst14" ; 1 - alpha "p2=p1*2" "DELTA1=d20-4.0*p1-4.0*p30-5.0*d16-p19" "DELTA2=d16-4u-p1/2" ;The below line should be commented out for Topspin < 2.0 ;"acqt0 = -p1*2/3.1416" 1 ze d11 QNP_X 2 d1 ; d12 SWITO_F 50u UNBLKGRAD p19:gp2*-1.0 ;Spoiler gradient balancing pulse d16 p1 ph1 ;1st 90 p30:gp1*diff*cnst16 ;1 - alpha d16 p2 ph2 ;First 180 p30:gp1*-1*diff*cnst15 ;1 + alpha d16 p1 ph3 ; 2nd 90 p30:gp1*diff*2*cnst14 ;Lock refocusing pulse pulse d16 p19:gp2 ;Spoiler gradient balancing pulse d16 DELTA1 p30:gp1*diff*2*cnst14 ;Lock refocusing pulse pulse d16 p1 ph4 ; 3rd 90 p30:gp1*diff*cnst16 ; 1 - alpha d16 p2 ph5 p30:gp1*-1*diff*cnst15 ;1 + alpha DELTA2 p1*0.5 ph7 ; 45 Purging pulse 4u BLKGRAD (2u SWITO_H) d12 pl12:f2 go=2 ph31 cpd2:f2 30m do:f2 mc #0 to 2 F1QF(igrad diff) exit ph1 = 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 0 2 0 2 1 3 1 3 ph2 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph3 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph4 = 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 0 0 2 2 0 0 2 2 1 1 3 3 1 1 3 3 2 2 0 0 2 2 0 0 3 3 1 1 3 3 1 1 ph5 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 ph7= 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 1 1 3 3 0 0 2 2 0 0 2 2 3 3 1 1 3 3 1 1 2 2 0 0 2 2 0 0 1 1 3 3 ph31 = 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 0 2 2 0 1 3 3 1 3 1 1 3 0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1 2 0 0 2 ;Compact phase cycling syntax, but possibly not parsed correctly ;ph10={0}*4 {1}*4; ;ph11=0 2 ;ph12={0}*2 {2}*2 ;ph13={0}*8 {1}*8 {2}*8 {3}*8 ;ph14={0}*64 {1}*64 ;ph15={0}*16 {2}*16 ;ph16=1 ;ph1= ph10 + ph11 ;ph2={0}*128 {2}*128 ;ph3={0}*32 {2}*32 ;ph4= ph12 + ph13 ;ph5= ph14 + ph15 ;ph7=ph11 + ph10*2 + ph16 + ph31 ;ph31=ph1 - ph2*2 + ph3 - ph4 + ph5*2 ;pl1 f1 channel - power level for pulse (default) ;p1 f1 channel - 90 degree high power pulse ;pl12:f2 channel - power level for CPD/BB decoupling ;pl13:f2 channel - power level for second CPD/BB decoupling ;p19 gradient pulse 2 (spoil gradient) ;p30 gradient pulse (little DELTA*0.5) ;d1 relaxation delay; 1-5 * T1 ;d16 delay for gradient recovery ;d20 diffusion time (big DELTA) ;gp1 diffusion encoding gradient ;gp2 Oneshot CTP gradients ;cnst14 alpha, typically 0.2 ;cnst15 1+alpha ;cnst16 1-alpha ;cnst17 Dtau ;cnst18 dosytimecubed ;NS 1 * n ;DS 1 * m ;td1 number of experiments ;FnMODE QF ; use, gradient value gpz1: 100 and gpz2: 100 ;use AU-program dosy to calculate gradient ramp-file Difframp ; use xf2 and DOSY processing ; use "setdiffparmUoM" if 'setdiffparm' does not work ; or use "setdiffparm STEbp" but this gives slighly distorted diffusion coefficients ;$Id: Doneshot45,v 1.0 2012/03/30 Copyright University of Manchester/University of Copenhagen