Beispiel #1
0
pulsesequence()
{
   char   
          autocal[MAXSTR],
          shname1[MAXSTR],
	  shname2[MAXSTR],
          ipap_flg[MAXSTR],
          ab_flg[MAXSTR],
	  f1180[MAXSTR],
          SE[MAXSTR],        /*Use Sensitivity Enhancement */
          c13refoc[MAXSTR],
          refpat[MAXSTR],    /* pulse shape pattern refocus. pulse*/
          hetsofast_flg[MAXSTR],
          grad3_flg[MAXSTR];     /*gradient flag */

   int   
          t1_counter,
          phase;


   double d2_init=0.0,
          pwS,pwS1,pwS2, 
          tpwrsf = getval("tpwrsf"),
   	  adjust = getval("adjust"),
          gzlvl1 = getval("gzlvl1"),
          gzlvl2 = getval("gzlvl2"), 
          gzlvl3 = getval("gzlvl3"), 
          gstab = getval("gstab"),
          gt1 = getval("gt1"),
          gt2 = getval("gt2"),
          gt3 = getval("gt3"),
          shlvl1 = getval("shlvl1"),
          shlvl2 = getval("shlvl2"),
          shdmf2 = getval("shdmf2"),
          shbw = getval("shbw"),
          shpw1 = getval("shpw1"),
          shpw2 = getval("shpw2"),
          shpw3 = 0.0,

          shofs = getval("shofs"),
          flipangle = getval("flipangle"),
          pwNlvl = getval("pwNlvl"),
          pwN = getval("pwN"),
          dpwr2 = getval("dpwr2"),
          d2 = getval("d2"),
          tau1,
          taunh = 1.0/(2.0*getval("JNH"));

void compo_pulse();
void compo1_pulse();
void makeshape_pc9();
void makeshape_refoc();
void makeshape_ndec();

   getstr("autocal",autocal);
   getstr("f1180",f1180);
   getstr("c13refoc",c13refoc);
   getstr("hetsofast_flg",hetsofast_flg);
   getstr("refpat", refpat); /* pulse pattern refocussing pulse */
   getstr("ipap_flg",ipap_flg);
   getstr("grad3_flg",grad3_flg);
   getstr("ab_flg",ab_flg);
   getstr("SE",SE);
   getstr("shname1",shname1);
   getstr("shname2",shname2);

 pwS = c_shapedpw("sech",200.0,0.0,zero, 0.0, 0.0);
 pwS1 = hn_simshapedpw(refpat,shbw,shofs-4.8,"isnob3",50.0,0.0, zero, zero, 0.0, 0.0);
 pwS2 = h_shapedpw(refpat,shbw,3.5,zero, 0.0, 0.0);



 if (hetsofast_flg[0] == 'a')
   shpw3 = h_shapedpw("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
 if (hetsofast_flg[0] == 'b')
   shpw3 = h_shapedpw("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);

  phase = (int) (getval("phase") + 0.5);
   
   settable(t1,2,phi1);
   settable(t2,2,phi2);

if (autocal[0] == 'y')
{
(void) makeshape_pc9(flipangle, shbw, shofs);  /*create pc9 pulse*/
   sh90 = getRsh("hn_pc9");
   shpw1 = sh90.pw;
   shlvl1 = sh90.pwr;
     sprintf(shname1,"hn_pc9");


(void) makeshape_refoc(refpat, shbw, shofs);  /* create refocussing pulse */
   shref = getDsh("hn_refoc");
   shpw2 = shref.pw;
   shlvl2 = shref.pwr;
   shdmf2 = shref.dmf;
   sprintf(shname2,"hn_refoc");

  if (dmm2[2] == 'p')  /* waveform capability present on channel 3 */
 {
  (void) makeshape_ndec();  /* create n15 wurst decoupling */
   shdec = getDsh("hncompdec");
   dpwr2 = shdec.pwr;
   dmf2 = shdec.dmf;
   dres2 = shdec.dres;
   sprintf(dseq2,"hncompdec");
 }

}

   if  (tpwrsf <4095.0) shlvl2 = shlvl2+6.0;

  if (phase == 1) ;
  if (phase == 2) tsadd(t1,1,4);

    tau1 = d2;
    if((f1180[A] == 'y') && (ni > 1.0))
        { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
    tau1 = tau1;
  
    if (f1180[0] == 'y')  tau1 = tau1-pwN*4.0/3.0;

    


   if( ix == 1) d2_init = d2;
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if(t1_counter % 2)
        { tsadd(t1,2,4); tsadd(t2,2,4); }



   status(A);

   decoffset(dof);
   dec2power(pwNlvl);
   dec2offset(dof2);
   obsoffset(tof);
   obspower(tpwr);


/**********************************************/
 if (hetsofast_flg[0] != 'n')
 {
     if (hetsofast_flg[0] == 'a')
     h_shapedpulse("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
     if (hetsofast_flg[0] == 'b')
     h_shapedpulse("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);
     zgradpulse(gzlvl2, gt2);
     delay(gstab);
     delay(d1-gt2-shpw3);
     lk_hold();
 }
 else
 {
     zgradpulse(gzlvl2, gt2);
     delay(gstab);
     delay(d1-gt2);
     lk_hold();
 }
   obspower(shlvl1);
   shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);

if (SE[0] == 'y')
 {

  if (ipap_flg[0] == 'y')
  {
    if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
    if (grad3_flg[0]== 'y')
     delay(taunh*0.5-shpw1*0.533-pwS1*0.5+(gt3*2.0+2.0*gstab+pwN*3.0));
    else
     delay(taunh*0.5-shpw1*0.533-pwS1*0.5+pwN);

    hn_simshapedpulse(refpat,shbw,shofs-4.8,"bip720_50_20",40.0,0.0, zero, zero, 0.0, 0.0);
    obspower(shlvl2);
    obspwrf(4095.0);
    compo1_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS,taunh,pwS1,pwS2,gt1,gt3,gzlvl3,grad3_flg,gstab);
    obspower(shlvl2);
    obspwrf(4095.0);
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    h_sim3shapedpulse(refpat,shbw,shofs-4.8,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    delay(taunh*0.5-gt1-gstab-POWER_DELAY-pwS1*0.5);
    if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
    if (ab_flg[0] == 'a')
      dec2rgpulse(pwN,one,0.0,0.0);
    else
      dec2rgpulse(pwN,three,0.0,0.0);
    if (grad3_flg[0]== 'y')
     {
      delay(gt3+gstab);
      dec2rgpulse(pwN*2.0,zero,0.0,0.0);
      zgradpulse(gzlvl3,gt3);
      delay(gstab);
     }
  }
  else
  {
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    if ((tau1+pwN*2.0) < pwS2) 
     delay(taunh-gt1-gstab-shpw1*0.533-adjust-(pwS2*0.5-tau1*0.5-pwN)*0.5);
    else
     delay(taunh-gt1-gstab-shpw1*0.533-adjust);
    obspower(shlvl2);
    obspwrf(tpwrsf);
    compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
    obspower(shlvl1);
    obspwrf(4095.0);
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    if ((tau1+pwN*2.0) < pwS2) 
     delay(taunh-gt1-gstab-POWER_DELAY-(pwS2*0.5-tau1*0.5-pwN)*0.5);
    else
     delay(taunh-gt1-gstab-POWER_DELAY);
  }
 }
else
 {
  if ((ni == 0) || (ni == 1))
   {
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    delay(taunh-gt1-gstab-WFG_START_DELAY+pwN*4.0-shpw1*0.533-adjust);
    obspwrf(tpwrsf);
    obspower(shlvl2);

    xmtrphase(zero);
    xmtron();
    obsunblank();
    obsprgon(shname2,1/shdmf2,9.0);
    delay(shpw2);
    obsprgoff();
    obsblank();
    xmtroff();

    obspower(shlvl2);
    obspwrf(4095.0);
    dec2rgpulse(pwN,t1,0.0,0.0);
    dec2rgpulse(pwN*2.0,zero,0.0,0.0);
    dec2rgpulse(pwN,zero,0.0,0.0);
   }
  else
   {
    zgradpulse(gzlvl1, gt1);
    delay(gstab);
    delay(taunh-gt1-gstab-shpw1*0.533-adjust);
    obspower(shlvl2);
    obspwrf(tpwrsf);
    compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
    obspower(shlvl1);
    obspwrf(4095.0);
   }

  if (ipap_flg[0] == 'y')
   {
   if (ab_flg[0] == 'b')
     {
     zgradpulse(gzlvl1, gt1);
     delay(gstab);
     delay(taunh-gt1-gstab-pwN-POWER_DELAY);
     dec2rgpulse(pwN,one,0.0,0.0);
     }
   else
     {
     zgradpulse(gzlvl1, gt1);
     delay(gstab);
     delay(taunh*0.5-gt1-pwN-gstab);
     dec2rgpulse(pwN*2.0,zero,0.0,0.0);
     delay(taunh*0.5-pwN-POWER_DELAY);
     }
   }
  else
   {
   zgradpulse(gzlvl1, gt1);
   delay(gstab);
   delay(taunh-gt1-gstab-POWER_DELAY);
   }
 }
 dec2power(dpwr2);
 lk_sample(); 
 setreceiver(t2);
 status(C);


}
Beispiel #2
0
void pulsesequence()
{

/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and       */
/* reinitialized below  */

char        f2180[MAXSTR],   		      /* Flag to start t2 @ halfdwell */
            fil_flg1[MAXSTR],
            had_flg[MAXSTR],
            shname1[MAXSTR],
	    shname2[MAXSTR],
	    ala_flg[MAXSTR],	    
            ser_flg[MAXSTR],
	    SE_flg[MAXSTR],			    /* SE_flg */
  	    TROSY[MAXSTR];			    /* do TROSY on N15 and H1 */

int         t2_counter,  		        /* used for states tppi in t2 */
	    ni2 = getval("ni2");

double      d3_init=0.0,  		        /* used for states tppi in t2 */
            stCwidth = 80.0,
	    shpw1,shpw2,         				         /*  t1 delay */
	    tauCH = getval("tauCH"), 		         /* 1/4J delay for CH */
	    tauC1 = getval("tauC1"),
	    tauC2 = getval("tauC2"),
	    tauC3 = getval("tauC3"),
            had2,had3,
            timeTN = getval("timeTN"),     /* constant time for 15N evolution */
	    eta = 4.6e-3,
	    theta = 14.0e-3,
            
	pwClvl = getval("pwClvl"), 	        /* coarse power for C13 pulse */
        pwC = getval("pwC"),          /* C13 90 degree pulse length at pwClvl */

   pwS1, pwS2,	pwS3,	pwS4, pwS5,pwS6,pwS7,
   phi7cal = getval("phi7cal"),  /* phase in degrees of the last C13 90 pulse */

	pwNlvl = getval("pwNlvl"),	              /* power for N15 pulses */
        pwN = getval("pwN"),          /* N15 90 degree pulse length at pwNlvl */

	sw2 = getval("sw2"),

	gt3 = getval("gt3"),
	gt5 = getval("gt5"),
	gstab = getval("gstab"),
	gzlvl0 = getval("gzlvl0"),
	gzlvl3 = getval("gzlvl3"),
	gzlvl5 = getval("gzlvl5"),
	flip_angle=120.0,had1=0.0,
	epsilon = getval("epsilon");
    fil_flg1[0]='n'; 
    ser_flg[0]='n';   /*initialize*/

    getstr("f2180",f2180);
    getstr("had_flg",had_flg);
    getstr("shname1",shname1);
    getstr("shname2",shname2);    
    getstr("TROSY",TROSY);
    getstr("SE_flg",SE_flg);


/*   LOAD PHASE TABLE    */

	settable(t1,4,phi1);
	settable(t3,4,phi3);
	settable(t4,1,phx);
	settable(t5,2,phi5);
	settable(t6,2,phi6);
        settable(t8,1,phx);
	settable(t9,8,phi9);
	settable(t10,1,phx);
	settable(t11,1,phy);

	settable(t12,8,phi12);
	settable(t13,8,rec2);




/*   INITIALIZE VARIABLES   */

        shpw1 = pw*8.0;
        shpw2 = pwC*8.0;
 	kappa = 5.4e-3;
	lambda = 2.4e-3;
        had2=0.5/135.0;
        had3=0.5/135.0;

        ala_flg[0]='n';

        if (had_flg[0] == '1')
          { fil_flg1[0]='n';ser_flg[0]='n';flip_angle=120.0;had1=0.0;} 
        if (had_flg[0] == '2')
          { fil_flg1[0]='y';ser_flg[0]='n';flip_angle=120.0;had1=0.0;} 
        if (had_flg[0] == '3')
          { fil_flg1[0]='n';ser_flg[0]='y';flip_angle=120.0;had1=0.0;} 
        if (had_flg[0] == '4')
          { fil_flg1[0]='y';ser_flg[0]='y';flip_angle=120.0;had1=0.0;} 
        if (had_flg[0] == '5')
          { fil_flg1[0]='n';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;} 
        if (had_flg[0] == '6')
          { fil_flg1[0]='y';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;} 
        if (had_flg[0] == '7')
          { fil_flg1[0]='n';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;} 
        if (had_flg[0] == '8')
          { fil_flg1[0]='y';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;} 
	


    if( pwC > 20.0*600.0/sfrq )
	{ printf("increase pwClvl so that pwC < 20*600/sfrq");
	  psg_abort(1); }

    /* get calculated pulse lengths of shaped C13 pulses */
	pwS1 = c13pulsepw("cab", "co", "square", 90.0); 
	pwS2 = c13pulsepw("ca", "co", "square", 180.0); 
	pwS3 = c13pulsepw("co", "ca", "sinc", 180.0); 
        pwS4 = c_shapedpw("isnob5",80.0,0.0,zero, 2.0e-6, 2.0e-6);

        pwS6 = c_shapedpw("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6); /* attention, y a aussi des 180 CaCb après les filtres*/

        pwS7 = c_shapedpw(shname2,80.0,150.0,zero, 2.0e-6, 2.0e-6);
        pwS5 = c_shapedpw("isnob5",30.0,0.0,zero, 2.0e-6, 2.0e-6);

/* CHECK VALIDITY OF PARAMETER RANGES */


    if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
       { printf(" ni2 is too big. Make ni2 equal to %d or less.\n", 
  	 ((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); 	     psg_abort(1);}

    if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
       { printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}

    if ( dm2[A] == 'y' || dm2[B] == 'y' )
       { printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}

    if ( dm3[A] == 'y' || dm3[C] == 'y' )
       { printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
							             psg_abort(1);}
    if ( dpwr2 > 46 )
       { printf("dpwr2 too large! recheck value  ");		     psg_abort(1);}

    if ( pw > 20.0e-6 )
       { printf(" pw too long ! recheck value ");	             psg_abort(1);} 
  
    if ( pwN > 100.0e-6 )
       { printf(" pwN too long! recheck value ");	             psg_abort(1);} 
 
    if ( TROSY[A]=='y' && dm2[C] == 'y' )
       { text_error("Choose either TROSY='n' or dm2='n' ! ");        psg_abort(1);}



/* PHASES AND INCREMENTED TIMES */

/*  Phase incrementation for hypercomplex 2D data, States-Haberkorn element */

    if (TROSY[A]=='y')
	 {  if (phase2 == 2)   				      icosel = +1;
            else 	    {tsadd(t4,2,4);  tsadd(t10,2,4);  icosel = -1;}
	 }
    else {
	if (SE_flg[0]=='y') 
                  {
		  if (phase2 == 2)  {tsadd(t10,2,4); icosel = +1;}
	          else 			       icosel = -1;    
		  }
	else {  if (phase2 == 2)  {tsadd(t8,1,4); }
              }
	 }



/*  Set up f2180  */

    tau2 = d3;    /* run 2D exp for NH correlation, but must use tau2 instead of tau1
                     because bionmr.h is written for nh_evol* to do tau2 evolution*/

    if((f2180[A] == 'y') && (ni2 > 1.0))  /* use f2180 to control tau2 */
	{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
    tau2 = tau2/2.0;



/* Calculate modifications to phases for States-TPPI acquisition          */

   if( ix == 1) d3_init = d3;
   t2_counter = (int) ( (d3-d3_init)*sw1 + 0.5 );
   if(t2_counter % 2)
        { tsadd(t8,2,4); tsadd(t12,2,4);  tsadd(t13,2,4);  }




/* BEGIN PULSE SEQUENCE */

status(A);
   	delay(d1);
      if (dm3[B]=='y') lk_hold();

	rcvroff();
        set_c13offset("cab");
	obsoffset(tof);
	obspower(tpwr);
 	obspwrf(4095.0);
	decpower(pwClvl);
	decpwrf(4095.0);
 	dec2power(pwNlvl);
	txphase(one);
	delay(1.0e-5);
        if (TROSY[A] == 'n')
	dec2rgpulse(pwN, zero, 0.0, 0.0);  /*destroy N15 and C13 magnetization*/
	decrgpulse(pwC, zero, 0.0, 0.0);
	zgradpulse(gzlvl0, 0.5e-3);
	delay(gstab);
      if (TROSY[A] == 'n')
	dec2rgpulse(pwN, one, 0.0, 0.0);
	decrgpulse(pwC, zero, 0.0, 0.0);
	zgradpulse(0.7*gzlvl0, 0.5e-3);
	delay(gstab);

      if(dm3[B] == 'y')			  /*optional 2H decoupling on */
         {dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0); 
          dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);} 
        rgpulse(pw, zero, 2.0e-6, 0.0);
        zgradpulse(gzlvl5, gt5);
        delay(tauCH - gt5 - WFG2_START_DELAY - 0.5e-3 + 68.0e-6 );

        sim_c13adiab_inv_pulse("", "aliph", stCwidth, "sech1", 2.0*pw, 1.0e-3,
                                                  zero, zero, 2.0e-6, 2.0e-6);

        zgradpulse(gzlvl5, gt5);
        delay(tauCH - gt5 - 0.5e-3 + 68.0e-6);
        rgpulse(pw, one, 0.0, 0.0);

      if (ser_flg[0] == 'n' )
         delay(pwS5);
      if (ser_flg[0] == 'y' )
        c_shapedpulse("isnob5",30.0,24.0,zero, 2.0e-6, 2.0e-6);  

/*********************************** transfer  CB->CA + DEPT CBH **************/
	zgradpulse(gzlvl3, gt3*1.2);
	delay(gstab);

        decrgpulse(pwC, t3, 0.0, 0.0);

        rgpulse(pw, three, 0.0, 0.0);
      if (flip_angle > 90.0) delay(pw*(flip_angle/90.0-1));

      if (fil_flg1[0] == 'y') 
        {
         /* JCOCA & JCOCB is turned on*/
          zgradpulse(gzlvl3, gt3);
	  delay(had2*0.5-pwS4*0.5-pwS7-gt3);
          c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);	
          c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
          zgradpulse(gzlvl3, gt3);        
          delay(had2*0.5-pwS4*0.5-gt3);
          rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
	if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
          zgradpulse(gzlvl3, 1.1*gt3);		
          delay(had3*0.5-shpw1*0.5-1.1*gt3);		
          shaped_pulse(shname1,shpw1,two,0.0,0.0);
          delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5-pwS7);
          c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);			
          c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);  
          zgradpulse(gzlvl3, 1.1*gt3);	
          delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
       }

     if (fil_flg1[0] == 'n') 
       {
         /* JCOCA & JCOCB is turned off*/
          zgradpulse(gzlvl3, gt3);
          delay(epsilon/4.0-pwS7*0.5-gt3);
	  c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);	
          delay(had2*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
          c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
          zgradpulse(gzlvl3, gt3);
          delay(had2*0.5-pwS4*0.5-gt3);
          rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
	if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
        if (had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5>0.0)		
          {
            zgradpulse(gzlvl3, 1.1*gt3);		
	    delay(epsilon/4.0-pwS7*0.5-1.1*gt3);
	    c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);		
	    delay(had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5);		
	    shaped_pulse(shname1,shpw1,two,0.0,0.0);
	    delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
          }
        else 
          {
            zgradpulse(gzlvl3, 1.1*gt3);		
	    delay(had3*0.5-shpw1*0.5-1.1*gt3);		
	    shaped_pulse(shname1,shpw1,two,0.0,0.0);
	    delay(epsilon/4.0-pwS7*0.5-had3*0.5-shpw1*0.5);
	    c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);		
	    delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
          }
	
	  c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);  
          zgradpulse(gzlvl3, 1.1*gt3);		
	  delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
       }

     if (fil_flg1[0] == 'c') 
       {
        /* JCOCA & JCOCB is turned off*/
          zgradpulse(gzlvl3, gt3);
	  delay(had2*0.5-pwS4*0.5-gt3);
	  c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
          zgradpulse(gzlvl3, gt3);
	  delay(had2*0.5-pwS4*0.5-gt3);
          rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
	if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
          zgradpulse(gzlvl3, 1.1*gt3);
	  delay(had3*0.5-shpw1*0.5-1.1*gt3);		
	  shaped_pulse(shname1,shpw1,two,0.0,0.0);
	  delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
	  c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);  
          zgradpulse(gzlvl3, 1.1*gt3);
       	  delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-1.1*gt3);
       }

/*********************************** 2nd transfer  CB->CA +DEPT CAH ***********/
          decrgpulse(pwC, zero, 0.0, 0.0);
	  c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);  
          delay(tauC1-pwS3-pwS4*0.5);
          c_shapedpulse("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6);  
          delay(tauC1-tauC2-pwS3-pwS4*0.5);
	  c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);  
          delay(tauC2-pw*8.0-had1);
          shaped_pulse(shname1,shpw1,two,0.0,0.0);
          delay(had1);
	  c13pulse("cab", "co", "square", 90.0, zero, 0.0, 0.0);  
/******************************************************************************/
        if(dm3[B] == 'y')		         /*optional 2H decoupling off */
           {dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
            setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
  	  zgradpulse(gzlvl3, gt3);
	  delay(2.0e-4);
	  h1decon("DIPSI2", 27.0, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
	  c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);          /* point e */
 	  decphase(zero);
	  delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
					        /* 2*POWER_DELAY+2*PWRF_DELAY */
	  c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);     /* pwS2 */
	  dec2phase(zero);
	  delay(theta - eta - pwS2 - WFG3_START_DELAY);
							  /* WFG3_START_DELAY */
	  sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
					     zero, zero, zero, 2.0e-6, 2.0e-6);
  	  initval(phi7cal, v7);
	  decstepsize(1.0);
	  dcplrphase(v7);					        /* SAPS_DELAY */
	  dec2phase(t8);
	  delay(theta - SAPS_DELAY);
      if (SE_flg[0]=='y')                                               /* point f */
	{
 	  nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h  */
          if (dm3[B]=='y') lk_sample();
	}
	else
	{
	  nh_evol_train("co", "ca"); /* common part of sequence in bionmr.h  */
          if (dm3[B]=='y') lk_sample();
	}
}		 
Beispiel #3
0
pulsesequence()
{
   char   
          shname1[MAXSTR],
	  f1180[MAXSTR],
	  f2180[MAXSTR],
          SE_flg[MAXSTR];

   int    icosel = 0,
          t1_counter,
          t2_counter,
          ni2 = getval("ni2"),
          phase;


   double d2_init=0.0,
          d3_init=0.0,
          pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,pwS8,
          lambda = getval("lambda"),
          gzlvl1 = getval("gzlvl1"),
          gzlvl2 = getval("gzlvl2"), 
          gzlvl3 = getval("gzlvl3"), 
          gzlvl4 = getval("gzlvl4"), 
          gzlvl5 = getval("gzlvl5"), 
          gzlvl6 = getval("gzlvl6"), 
          gt1 = getval("gt1"),
          gt3 = getval("gt3"),
          gt4 = getval("gt4"),
          gt5 = getval("gt5"),
          gt6 = getval("gt6"),
          gstab = getval("gstab"),
          shlvl1 = getval("shlvl1"),
          shpw1 = getval("shpw1"),
          pwClvl = getval("pwClvl"),
          pwNlvl = getval("pwNlvl"),
          pwN = getval("pwN"),
          d2 = getval("d2"),
          timeTN = getval("timeTN"),
          Delta,
          tauNCO = getval("tauNCO"),
          tauC = getval("tauC"),
          tau1 = getval("tau1"),
          tau2 = getval("tau2"),
          taunh = getval("taunh");



   getstr("shname1", shname1);
   getstr("SE_flg",SE_flg);
   getstr("f1180",f1180);
   getstr("f2180",f2180);

  phase = (int) (getval("phase") + 0.5);
   
   settable(t1,2,phi1);
   settable(t2,1,phi2);
   settable(t3,4,phi3);
   settable(t4,8,phi4);
   settable(t10,1,phi10);
   settable(t12,8,phi12);
   settable(t13,8,phi13);

/*   INITIALIZE VARIABLES   */

  Delta = timeTN-tauNCO;

   pwS1 = c13pulsepw("ca", "co", "square", 90.0);
   pwS2 = c13pulsepw("ca", "co", "square", 180.0);
   pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
   pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
   pwS8 = c_shapedpw("reburp",60.0 ,-135.0,zero, 0.0, 0.0);
   pwS4 = h_shapedpw("eburp2",4.0,3.5,zero, 0.0, 0.0);  
   pwS6 = h_shapedpw("reburp",4.0,3.5,zero, 0.0, 0.0);
   pwS5 = h_shapedpw("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);



if (SE_flg[0] == 'y')
{
   if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3-pwS4))
       { printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
         ((int)((timeTN-Delta-pwS3-pwS4)*2.0*sw2)));    psg_abort(1);}
}
else
{

   if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3))
       { printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
         ((int)((timeTN-Delta-pwS3)*2.0*sw2)));    psg_abort(1);}
}



  if (phase == 1) ;
  if (phase == 2) {tsadd(t1,1,4);}

if (SE_flg[0] =='y')
{
  if (phase2 == 2)  {tsadd(t10,2,4); icosel = +1;}
            else 			       icosel = -1;   
}
else
{
  if (phase2 == 2) {tsadd(t3,1,4); icosel = 1;}
}
 

    tau1 = d2;
    if((f1180[A] == 'y') )
        { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
    tau1 = tau1;

   tau2 = d3;
    if((f2180[A] == 'y') )
        { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
    tau2 = tau2;

  
    


   if( ix == 1) d2_init = d2;
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if(t1_counter % 2)
        { tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }

   if( ix == 1) d3_init = d3;
   t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
   if(t2_counter % 2)
        { tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }



   status(A);
   decpower(pwClvl);
   dec2power(pwNlvl);
   set_c13offset("co");
   zgradpulse(gzlvl6, gt6);
   delay(1.0e-4);
   delay(d1-gt6);
lk_hold();
   rcvroff();

        h_shapedpulse("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);  

	delay(lambda-pwS5*0.5-pwS6*0.4); 

   	h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);

	delay(lambda-pwS5*0.5-pwS6*0.4);

        h_shapedpulse("pc9f_",4.0,3.5,one, 2.0e-6, 0.0);  


   obspower(shlvl1);
/**************************************************************************/
/*   xxxxxxxxxxxxxxxxxxxxxx   N-> CA transfer           xxxxxxxxxxxxxxxxxx    */
/**************************************************************************/
   set_c13offset("ca");
      dec2rgpulse(pwN,zero,0.0,0.0);

           delay(timeTN);

      sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
                                             zero, zero, zero, 2.0e-6, 2.0e-6);

           delay(Delta);
	c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);      
           delay(timeTN-Delta-pwS3-taunh*0.5-shpw1);
        shaped_pulse(shname1,shpw1,two,0.0,0.0);
           delay(taunh*0.5);

     dec2rgpulse(pwN,zero,0.0,0.0);				     
        shaped_pulse(shname1,shpw1,zero,0.0,0.0);
/**************************************************************************/
/*   xxxxxxxxxxxxxxxxxxxxxx       CA->CO TRANSFER       xxxxxxxxxxxxxxxxxx    */
/**************************************************************************/
       set_c13offset("ca");
        c13pulse("ca", "co", "square", 90.0, t2, 2.0e-6, 0.0);
/*
        initval(0.0, v2);
        decstepsize(1.0);
        dcplrphase(v2);
*/

           zgradpulse(gzlvl4, gt4);
        delay(tauC*0.5-gt4);
 
       c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);

           zgradpulse(gzlvl4, gt4);

        delay(tauC-gt4);
       c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);
        delay(tauC*0.5);

        c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);


           zgradpulse(gzlvl3, gt3*3.5);
           delay(1.0e-4);
/**************************************************************************/
/*   xxxxxxxxxxxxxxxxxxxxxx       13CO EVOLUTION       xxxxxxxxxxxxxxxxxx    */
/**************************************************************************/

       set_c13offset("co");
        c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
        delay(tau1*0.5);
        sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 2.0*pwN,
                                                  zero, zero, zero, 0.0, 0.0);
        delay(tau1*0.5);
        c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
        sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 0.0,
                                                  two, zero, zero, 0.0, 0.0);
        if (pwN*2.0 > pwS2) delay(pwN*2.0-pwS2);
        c13pulse("co", "ca", "sinc", 90.0, t4, 0.0, 0.0);

/***************************************************************************/
/* CA->CO transfer                                                         */
/***************************************************************************/
       set_c13offset("ca");
        c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);

        initval(0.0, v2);
        decstepsize(1.0);
        dcplrphase(v2);

           zgradpulse(gzlvl3, gt3*2.0);
        delay(tauC*0.5-gt3*2.0);
 
       c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);

           zgradpulse(gzlvl3, gt3*2.0);

        delay(tauC-gt3*2.0);
       c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);
        delay(tauC*0.5);

        c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);

/*      dcplrphase(v2); */

/**************************************************************************/

   obspower(shlvl1);

        shaped_pulse(shname1,shpw1,zero,0.0,0.0);
     dec2rgpulse(pwN,t3,0.0,0.0);

 	   delay(tau2*0.5+taunh*0.5);
        shaped_pulse(shname1,shpw1,two,0.0,0.0);
           delay(timeTN-shpw1-taunh*0.5-gt1-1.0e-4);
        zgradpulse(-gzlvl1, gt1);
        delay(1.0e-4);
      sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
                                             zero, zero, zero, 2.0e-6, 2.0e-6);


      if (SE_flg[0] == 'y')
      {
       delay(Delta);
	c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);      
           delay(timeTN-tau2*0.5-pwS4-Delta-pwS3);
        h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0); 
	dec2rgpulse(pwN, t10, 0.0, 0.0);
      }
      else
      {
       delay(Delta);
	c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);      
       delay(timeTN-tau2*0.5-Delta-pwS3);
       dec2rgpulse(pwN, zero, 0.0, 0.0);
      }

/**************************************************************************/
if (SE_flg[0] == 'y')
{
	zgradpulse(gzlvl5, gt5);
	delay(lambda-pwS6*0.4  - gt5);

   	h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);

	zgradpulse(gzlvl5, gt5);
	delay(lambda-pwS6*0.4  - gt5);

	dec2rgpulse(pwN, one, 0.0, 0.0);
  
        h_shapedpulse("eburp2_",4.0,3.5,one, 0.0, 0.0); 
 

	txphase(zero);
	dec2phase(zero);
	delay(lambda-pwS4*0.5-pwS6*0.4);

   	h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);

	dec2phase(t10);
	delay(lambda-pwS4*0.5-pwS6*0.4);

 
        h_shapedpulse("eburp2",4.0,3.5,zero, 0.0, 0.0); 


	delay((gt1/10.0) + 1.0e-4 +gstab  + 2.0*GRADIENT_DELAY + POWER_DELAY);

        h_shapedpulse("reburp",4.0,3.5,zero, 0.0, 0.0); 
        zgradpulse(icosel*gzlvl2, gt1/10.0);            /* 2.0*GRADIENT_DELAY */
        delay(gstab);
}
else
{
        h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
        zgradpulse(gzlvl5, gt5);
        delay(lambda-pwS6*0.4  - gt5);

        h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);

        zgradpulse(gzlvl5, gt5);
        delay(lambda-pwS6*0.4  - gt5-POWER_DELAY-1.0e-4);
}

	dec2power(dpwr2);				       /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
	setreceiver(t13);
else
	setreceiver(t12);
      rcvron();  
statusdelay(C,1.0e-4 );

}