Пример #1
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();
	}
}		 
Пример #2
0
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        f1180[MAXSTR],   		      /* Flag to start t1 @ halfdwell */
            f2180[MAXSTR],    		      /* Flag to start t2 @ halfdwell */
            stCshape[MAXSTR],
 	    TROSY[MAXSTR];			    /* do TROSY on N15 and H1 */
 
int         t1_counter,  		        /* used for states tppi in t1 */
            t2_counter,  	 	        /* used for states tppi in t2 */
	    ni = getval("ni"),
	    ni2 = getval("ni2");

double      d2_init=0.0,  		        /* used for states tppi in t1 */
	    d3_init=0.0,  	 	        /* used for states tppi in t2 */
	    tau1,         				         /*  t1 delay */
	    tauCH = getval("tauCH"), 		         /* 1/4J delay for CH */
            timeTN = getval("timeTN"),     /* constant time for 15N evolution */
            timeNCA = getval("timeNCA"),
            timeC = getval("timeC"),      /* other delays */
            tauCC = getval("tauCC"),
	    zeta = getval("zeta"),

	pwClvl = getval("pwClvl"), 	        /* coarse power for C13 pulse */
        pwC = getval("pwC"),          /* C13 90 degree pulse length at pwClvl */
        compC = getval("compC"),
        rf0,
        rfst,

   widthHd,
   pwS1,					/* length of square 90 on Cab */
   pwS2,					/* length of square 180 on Ca */
   phi7cal = getval("phi7cal"),  /* phase in degrees of the last C13 90 pulse */
   phshift = getval("phshift"),        /*  phase shift induced on CO by 180 on CA in middle of t1 */

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

	sw1 = getval("sw1"),
	sw2 = getval("sw2"),
        waltzB1 = getval("waltzB1"),
	gt0 = getval("gt0"),				   /* other gradients */
	gt3 = getval("gt3"),
	gt4 = getval("gt4"),
	gzlvl0 = getval("gzlvl0"),
	gzlvl3 = getval("gzlvl3"),
	gzlvl4 = getval("gzlvl4");

    getstr("f1180",f1180);
    getstr("f2180",f2180);
    getstr("TROSY",TROSY);

    widthHd=2.069*(waltzB1/sfrq);  /* produces same field as std. sequence */

/*   LOAD PHASE TABLE    */

	settable(t1,2,phi1);
	settable(t2,4,phi2);
        settable(t4,1,phx);
   if (TROSY[A]=='y')
       {settable(t8,1,phy);
	settable(t9,1,phx);
 	settable(t10,1,phy);
	settable(t11,1,phx);
	settable(t12,4,recT);}
    else
       {settable(t8,1,phx);
	settable(t9,16,phi9);
	settable(t10,1,phx);
	settable(t11,1,phy);
	settable(t12,8,rec);}

        

/*   INITIALIZE VARIABLES   */

 	kappa = 5.4e-3;
	lambda = 2.4e-3;

/* maximum fine power for pwC pulses (and initialize rfst) */
        rf0 = 4095.0;    rfst=0.0;

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



/* 30 ppm sech/tanh inversion for Ca-Carbons */

        rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41));
        rfst = (int) (rfst + 0.5);
        strcpy(stCshape, "stC30");

    /* get calculated pulse lengths of shaped C13 pulses */
	pwS1 = c13pulsepw("co", "ca", "sinc", 90.0); 
	pwS2 = c13pulsepw("ca", "co", "square", 180.0); 
	

/* CHECK VALIDITY OF PARAMETER RANGES */

    if ( gt4 > zeta - 0.6*pwC)
       { printf(" gt4 is too big. Make gt4 equal to %f or less.\n", 
  	 (zeta - 0.6*pwC)); 	     				     psg_abort(1);}

    if ( 0.5*ni*1/(sw1) > 2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY)
       { printf(" ni is too big. Make ni equal to %d or less.\n", 
  	 ((int)((2.0*timeC - OFFSET_DELAY)*2.0*sw1))); 	     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 (phase1 == 2) tsadd(t2,1,4);  
    if (TROSY[A]=='y')
	 {  if (phase2 == 2)   				      icosel = +1;
            else 	    {tsadd(t4,2,4);  tsadd(t10,2,4);  icosel = -1;}
	 }
    else {  if (phase2 == 2)  {tsadd(t10,2,4); icosel = +1;}
            else 			       icosel = -1;    
	 }



/*  C13 TIME INCREMENTATION and set up f1180  */

/*  Set up f1180  */

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


/*  Set up f2180  */

    tau2 = d3;
    if((f2180[A] == 'y') && (ni2 > 1.0)) 
	{ 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) d2_init = d2; 
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if(t1_counter % 2) 
	{ tsadd(t2,2,4); tsadd(t12,2,4); }

   if( ix == 1) d3_init = d3; 
   t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
   if(t2_counter % 2) 
	{ tsadd(t8,2,4); tsadd(t12,2,4); }



/*   BEGIN PULSE SEQUENCE   */

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

	rcvroff();
        set_c13offset("ca");
	obsoffset(tof);
	obspower(tpwr);
 	obspwrf(4095.0);
	decpower(pwClvl);
	decpwrf(4095.0);
 	dec2power(pwNlvl);
	txphase(three);
	delay(1.0e-5);

	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(1.0e-4);
	dec2rgpulse(pwN, one, 0.0, 0.0);
	decrgpulse(pwC, zero, 0.0, 0.0);
	zgradpulse(0.7*gzlvl0, 0.5e-3);
	delay(5.0e-4);

        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, 0.0, 0.0);                  /* 1H pulse excitation */
                          
        txphase(zero);
        decphase(zero);
	zgradpulse(gzlvl0, gt0);			/* 2.0*GRADIENT_DELAY */

	decpwrf(rfst);
        delay(tauCH - gt0 - WFG2_START_DELAY - 0.5e-3 + 70.0e-6);

        simshaped_pulse("",stCshape, 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);

        delay(tauCH - gt0 - 0.5e-3 + 70.0e-6 - 150.0e-6);

        decpwrf(rf0);

	zgradpulse(gzlvl0, gt0);   	 	        /* 2.0*GRADIENT_DELAY */
	delay(150.0e-6);
           
	rgpulse(pw, one, 0.0, 0.0);	
	zgradpulse(gzlvl3, gt3);
	delay(2.0e-4);
        decrgpulse(pwC, t1, 0.0, 0.0);

        set_c13offset("co");

	delay(zeta - 0.6*pwC - OFFSET_DELAY - POWER_DELAY - PWRF_DELAY - PRG_START_DELAY);
        
        h1decon("DIPSI2", widthHd, 0.0); /*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
         
	delay(2.0*timeC - zeta);
 
        c13pulse("co", "ca", "sinc", 90.0, t2, 0.0, 0.0); /* pwS1 */		
	
        delay(timeNCA - tau1);

        c13pulse("ca", "co", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
        sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); /* pwS2 */

        delay(timeNCA + tau1 + (60.0e-6));
        
        initval(phshift, v3);
        decstepsize(1.0);
        dcplrphase(v3);        
        c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0); /* pwS1 */

        delay(2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY - tau1);
        c13pulse("ca", "co", "sinc", 180.0, zero, 0.0, 0.0);
        delay(tauCC);
        sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 60.0e-6); 
        delay(tau1);

        set_c13offset("ca");

        initval(phi7cal, v7);
        decstepsize(1.0);
        dcplrphase(v7);                                         /* SAPS_DELAY */
        dec2phase(t8);

	nh_evol_se_train("ca", "co"); /* common part of sequence in bionmr.h  */

if (dm3[B] == 'y')  lk_sample();

}		 
Пример #3
0
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        cbdecseq[MAXSTR];                     /*  selective CB decoupling */

int         t1_counter,  		        /* used for states tppi in t1 */
	    ni = getval("ni");

double      d2_init=0.0,  		        /* used for states tppi in t1 */
	    tau1,         		  /* Ha, J active for 1/4 of the time */
            t1a,                       /* time increments for first dimension */
            t1b,
            t1c,
            tau2,                               /* Ca */
            tau3,                               /* CO */
	    tauCH = getval("tauCH"), 		         /* 1/4J delay for CH */
            timeTN = getval("timeTN"),     /* constant time for 15N evolution */
	    zeta = 4.7e-3,                            /* 1/4J delay for C-CO' */
	    theta = 14.0e-3,                          /* 1/4J delay for N-CO' */
            cbpwr,                 /* power level for selective CB decoupling */
            cbdmf,                  /* pulse width for selective CB decoupling */
            cbres,                  /* decoupling resolution of CB decoupling */
           sheila,  /* to transfer J evolution time hyperbolically into tau1 */
	pwClvl = getval("pwClvl"), 	        /* coarse power for C13 pulse */
        pwC = getval("pwC"),          /* C13 90 degree pulse length at pwClvl */

   pwCa180,
   pwCO180,

   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 */

	sw1 = getval("sw1"),

        swHa = getval("swHa"),
        swCa = getval("swCa"),
        swN  = getval("swN"),
        swTilt,                     /* This is the sweep width of the tilt vector */

        cos_N, cos_Ca, cos_Ha, 
        angle_N, angle_Ca, angle_Ha,   /* angle_N is calculated automatically */

        gstab = getval("gstab"),

        gt1 = getval("gt1"),
        gt5 = getval("gt5"),
        gt3 = getval("gt3"),
        gt4= getval("gt4"),
        gt8= getval("gt8"),
        gt6=getval("gt6"),
        gt7=getval("gt7"),

	gzlvl0 = getval("gzlvl0"),
        gzlvl1 = getval("gzlvl1"),
        gzlvl2 = getval("gzlvl2"),
        gzlvl5 = getval("gzlvl5"),
        gzlvl6 = getval("gzlvl6"),
        gzlvl3 = getval("gzlvl3"),
        gzlvl4= getval("gzlvl4"),
        gzlvl8= getval("gzlvl8"),
        gzlvl7= getval("gzlvl7");

/* Load variable */
        cbpwr = getval("cbpwr");
        cbdmf = getval("cbdmf");
        cbres = getval("cbres");
        tau1 = 0;
        tau2 = 0;
        tau3 = 0;
        cos_N = 0;
        cos_Ca = 0;
        cos_Ha = 0;

    getstr("cbdecseq", cbdecseq);


/*   LOAD PHASE TABLE    */

	settable(t3,1,phi3);
	settable(t4,1,phi4);
	settable(t5,2,phi5);
	settable(t6,2,phi6);

        settable(t8,1,phx);
	settable(t9,4,phi9);
	settable(t10,1,phx);
	settable(t11,1,phy);
	settable(t12,4,rec);

        

/*   INITIALIZE VARIABLES   */

 	kappa = 5.4e-3;
	lambda = 2.4e-3;


    /* get calculated pulse lengths of shaped C13 pulses */
      pwCa180=c13pulsepw("ca", "co", "square", 180.0);
      pwCO180=c13pulsepw("co", "ca", "sinc", 180.0);


/* PHASES AND INCREMENTED TIMES */

   /* Set up angles and phases */

   angle_Ha=getval("angle_Ha");  cos_Ha=cos(PI*angle_Ha/180.0);
   angle_Ca=getval("angle_Ca");  cos_Ca=cos(PI*angle_Ca/180.0);

   if ( (angle_Ha < 0) || (angle_Ha > 90) )
   {  printf ("angle_Ha must be between 0 and 90 degree.\n"); psg_abort(1); }

   if ( (angle_Ca < 0) || (angle_Ca > 90) )
   {  printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }

   if ( 1.0 < (cos_Ha*cos_Ha + cos_Ca*cos_Ca) )
   {
       angle_N = 0.0;
       printf ("Impossible angles.\n"); psg_abort(1);
   }
   else
   {
           cos_N=sqrt(1.0- (cos_Ha*cos_Ha + cos_Ca*cos_Ca));
           angle_N = 180.0*acos(cos_N)/PI;
   }

   swTilt=swHa*cos_Ha + swCa*cos_Ca + swN*cos_N;

   if (ix ==1)
   {
      printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
      printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
      printf ("Angle_Ha:\t%6.2f\n", angle_Ha);
      printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
      printf ("Angle_N :\t%6.2f\n", angle_N );
   }

/* Set up hyper complex */

   /* sw1 is used as symbolic index */
   if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }


   if (ix == 1) d2_init = d2;
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if (t1_counter % 2)  { tsadd(t8,2,4); tsadd(t12,2,4); }

   if (phase1 == 1)  { ;}                                                  /* CC */
   else if (phase1 == 2)  { tsadd(t3,1,4);}                                /* SC */
   else if (phase1 == 3)  { tsadd(t4,1,4); }                               /* CS */
   else if (phase1 == 4)  { tsadd(t3,1,4); tsadd(t4,1,4);}                 /* SS */
   else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }

   if (phase2 == 2)  { tsadd(t10,2,4); icosel = +1; }                      /* N  */
            else                       icosel = -1;

   tau1 = 1.0*t1_counter*cos_Ha/swTilt;
   tau2 = 1.0*t1_counter*cos_Ca/swTilt;
   tau3 = 1.0*t1_counter*cos_N/swTilt;

   tau1 = tau1/2.0;  tau2 = tau2/2.0;  tau3 = tau3/2.0;


/* CHECK VALIDITY OF PARAMETER RANGES */

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

    if ( 0.5*0.25*ni*(cos_Ha/swTilt) > tauCH - 2*pwC - 2.0e-6 - gt3)
       {
         printf(" ni is too big for Ha. Make ni equal to %d or less.\n",
            (int) ((tauCH - 2*pwC - 2.0e-6 - gt3)/(0.5*0.25*cos_Ha/swTilt))  );
         psg_abort(1);
       }

    if (0.5*ni*(cos_Ca/swTilt) > zeta - gt8 - pwCa180/2
                         -pwCO180 - WFG2_START_DELAY
                 - 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)
       {
         printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
            (int) ((zeta - gt8 - pwCa180/2 - pwCO180 - WFG2_START_DELAY
               - 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)/(0.5*cos_Ca/swTilt)));
         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);}

/*  Hyperbolic sheila seems superior to original zeta approach  */

                                  /* subtract unavoidable delays from tauCH */
    tauCH = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;

 if (angle_Ca == 90.0)
  {
   sheila = 0.0;
  }
 else
 {

 if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
    {
      if (tau1 > 2.0*tauCH) sheila = tauCH;
      else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
      else          sheila = 0.0;
    }
 else
    {
      if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
      else          sheila = 0.0;
    }
  }
    t1a = tau1 + tauCH;
    t1b = tau1 - sheila;
    t1c = tauCH - sheila;


/*   BEGIN PULSE SEQUENCE   */

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

	rcvroff();
        set_c13offset("ca");


	obspower(tpwr);
 	obspwrf(4095.0);
        obsoffset(tof);       /* tof set to water */
	decpower(pwClvl);
	decpwrf(4095.0);
 	dec2power(pwNlvl);
	txphase(one);
	delay(1.0e-5);

	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);

status(B);

      rgpulse(pw, three, 0.0, 0.0);                  /* 1H pulse excitation */
                                                                /* point a */
        txphase(zero);
        decphase(zero);
        zgradpulse(gzlvl3, gt3);                        /* 2.0*GRADIENT_DELAY */
        delay(gstab);
        delay(t1a - 2.0*pwC);

        decrgpulse(2.0*pwC, zero, 0.0, 0.0);

        delay(t1b);

        rgpulse(2.0*pw, zero, 0.0, 0.0);

        zgradpulse(gzlvl3, gt3);                        /* 2.0*GRADIENT_DELAY */
        txphase(t3);
        delay(gstab);
        delay(t1c);
                                                                /* point b */
        rgpulse(pw, t3, 0.0, 0.0);

      txphase(zero);        decphase(t4);

                                               /* -----------HzCz---------- */


      zgradpulse(gzlvl4, gt4);              /* Crush graidient G12*/
      delay(gstab);
                                              /* end of HzCz */
   c13pulse("ca", "co", "square", 90.0, t4, 2.0e-6, 0.0);

      decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1.0/cbdmf,cbres);
      decon(); 

      delay(tau2);
      dec2rgpulse(2*pwN, zero, 2.0e-6, 2.0e-6);

      decoff();  
      decprgoff();

      zgradpulse(gzlvl8, gt8);

      decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1.0/cbdmf,cbres);
      decon();

      delay(tauCH- gt8 - pw - 2*pwN - 6.0e-6);

      rgpulse(2.0*pw, zero, 2.0e-6, 0.0);

      delay(zeta - tauCH -pw - pwCO180 - pwCa180/2 - 2.0*WFG_START_DELAY
                 - 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6);

      decoff();
      decprgoff();

      c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
   c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);

      zgradpulse(gzlvl8, gt8);              /* 2.0*GRADIENT_DELAY */

      decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1.0/cbdmf,cbres);
      decon();

      delay(zeta - gt8 - pwCa180/2 - pwCO180 - 2.0*WFG_START_DELAY
                 - 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6 - tau2);   /* const-time */

      decoff();
      decprgoff();

      c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);

   c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);
                                             /* ---------CazCOz----------- */

      set_c13offset("co");   

      zgradpulse(gzlvl6, gt6);            /* Crush gradient G14 */
      delay(gstab);


      h1decon("DIPSI2", 27.0, 0.0);
      decphase(t5);
                                             /* ------- CazCOz ------------*/

   c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);


      decphase(zero);
      delay(zeta - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY - pwCa180/2 - 2.0e-6);

    c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);     

      dec2phase(zero);
      delay(theta - zeta - pwCa180/2 - WFG_START_DELAY - pwCO180/2
                                  - 2.0*POWER_DELAY - 2.0*PWRF_DELAY - 2.0e-6);

   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);                      
      dec2phase(t8);
      delay(theta - SAPS_DELAY - WFG_START_DELAY - pwCO180/2 - 4.0e-6  
                             - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);

   c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
                                          /* -----------CzNz----------- */   
      dcplrphase(zero);
      h1decoff();

      zgradpulse(gzlvl7, gt7);      
      delay(gstab);

      h1decon("DIPSI2", 27.0, 0.0);
                                                  
                                          /*  -------------CzNz---------- */
    dec2rgpulse(pwN, t8, 0.0, 0.0);

	decphase(zero);
	dec2phase(t9);
	delay(timeTN - WFG3_START_DELAY - tau3);
							 /* WFG3_START_DELAY  */
	sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN, 
						zero, zero, t9, 2.0e-6, 2.0e-6);

	dec2phase(t10);


    if (tau3 > kappa + PRG_STOP_DELAY)
	{
          delay(timeTN - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY 
						- 2.0*PWRF_DELAY - 2.0e-6);
	c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
          delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
          h1decoff();		     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
	  txphase(zero);
          delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);


    zgradpulse(gzlvl1, gt1);   	/* 2.0*GRADIENT_DELAY */
	  delay(gstab);
	}
    else if (tau3 > (kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
	{
          delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
          h1decoff();		     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
	  txphase(zero); 			/* WFG_START_DELAY  + 2.0*POWER_DELAY */
	c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
          delay(kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1 
					        - 2.0*GRADIENT_DELAY - gstab);


  zgradpulse(gzlvl1, gt1);   	/* 2.0*GRADIENT_DELAY */
	  delay(gstab);
	}
    else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
	{
          delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
          h1decoff();		     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
	  txphase(zero);
          delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
 								    - 2.0e-6);
	c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
          delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);


   zgradpulse(gzlvl1, gt1);   	/* 2.0*GRADIENT_DELAY */
	  delay(gstab);
	}
    else
	{
          delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
          h1decoff();		     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
	  txphase(zero);
    	  delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
			         - 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);

    zgradpulse(gzlvl1, gt1);   	/* 2.0*GRADIENT_DELAY */
	  delay(gstab);
	c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
          delay(tau3);
	}


        sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);

	txphase(zero);
	dec2phase(zero);
	zgradpulse(gzlvl5, gt5);
	delay(lambda - 1.3*pwN - gt5);

	sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);

	zgradpulse(gzlvl5, gt5);
	txphase(one);
	dec2phase(t11);
	delay(lambda - 1.3*pwN - gt5);

	sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);

	txphase(zero);
	dec2phase(zero);
	zgradpulse(gzlvl6, gt5);
	delay(lambda - 1.3*pwN - gt5);

	sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);

	dec2phase(t10);
	zgradpulse(gzlvl6, gt5);

             {delay(lambda - 0.65*(pw + pwN) - gt5);
	      rgpulse(pw, zero, 0.0, 0.0); 
	      delay((gt1/10.0) + gstab - 0.3*pw + 2.0*GRADIENT_DELAY
							+ POWER_DELAY);  }
	rgpulse(2.0*pw, zero, 0.0, 0.0);

	dec2power(dpwr2);				       /* POWER_DELAY */
               zgradpulse(icosel*gzlvl2, gt1/10.0);            /* 2.0*GRADIENT_DELAY */

	setreceiver(t12);
	statusdelay(C, gstab);
}	
Пример #4
0
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],
       cbdec[MAXSTR],
       cbdecseq[MAXSTR];                  /* shape for selective CB inversion */

int    t1_counter,  t2_counter, 
       ni = getval("ni"), ni2 = getval("ni2");

double
   d2_init=0.0, d3_init=0.0,  
   tau1, tau2, tau3,                                        /* t1,t2,t3 delay */
   t1a, t1b, t1c, sheila_1,
   t2a, t2b, t2c, sheila_2,
   tauCH = getval("tauCH"),                              /* 1/4J delay for CH */
   tauCH_1,
   timeTN = getval("timeTN"),   /* ~ 12 ms for N evolution and 1JNCa transfer */
   epsilon = 1.05e-3,                               /* 0.7*1/4J delay for CHn */
   epsilon_1,
   tauCaCO = getval("tauCaCO"),                 /* 1/4J delay for CaCO, 4.5ms */
   tauNCO = getval("tauNCO"),                   /* 1/4J delay for NCO, 17.0ms */

   Hali_offset = getval("Hali_offset"),
   cbpwr,                           /* power level for selective CB inversion */
   cbdmf,                           /* pulse width for selective CB inversion */
   cbres,

   pwClvl = getval("pwClvl"),                   /* coarse power for C13 pulse */
   pwC = getval("pwC"),               /* C13 90 degree pulse length at pwClvl */

   pwN = getval("pwN"),               /* N15 90 degree pulse length at pwNlvl */
   pwNlvl = getval("pwNlvl"),                         /* power for N15 pulses */
   dpwr2 = getval("dpwr2"),                       /* power for N15 decoupling */

   swH = getval("swH"), swC = getval("swC"), swTilt,
   angle_H = getval("angle_H"), angle_C, cos_H, cos_C,

   pwCa90,
   pwCa180,                                     /* length of square 180 on Ca */
   pwCO90,
   pwCO180,                                       /* length of sinc 180 on CO */

   pwZ,
   phi7cal = getval("phi7cal"),     /* small phase correction for 90 CO pulse */
   ncyc = getval("ncyc"),       /* no. of cycles of DIPSI-3 decoupling on Cab */
   waltzB1 = getval("waltzB1"),  /* H1 decoupling strength in Hz for DIPSI-2  */

   sw1 = getval("sw1"),   sw2 = getval("sw2"), 
  gstab= getval("gstab"),
   gt0 = getval("gt0"),     gzlvl0 = getval("gzlvl0"),             
   gt1 = getval("gt1"),     gzlvl1 = getval("gzlvl1"),
                            gzlvl2 = getval("gzlvl2"),
   gt3 = getval("gt3"),     gzlvl3 = getval("gzlvl3"),
   gt4 = getval("gt4"),     gzlvl4 = getval("gzlvl4"),
   gt5 = getval("gt5"),     gzlvl5 = getval("gzlvl5"),
   gt6 = getval("gt6"),     gzlvl6 = getval("gzlvl6"),
   gt7 = getval("gt7"),     gzlvl7 = getval("gzlvl7"),
   gt8 = getval("gt8"),     gzlvl8 = getval("gzlvl8"),
   gt9 = getval("gt9"),     gzlvl9 = getval("gzlvl9");

   getstr("f2180",f2180);
   widthHd = 2.069*(waltzB1/sfrq);          /* produces same B1 as gc_co_nh.c */

   cbpwr = getval("cbpwr");  cbdmf = getval("cbdmf");  cbres = getval("cbres");
   getstr("cbdecseq", cbdecseq);   getstr("cbdec", cbdec);

/*   LOAD PHASE TABLE    */

   settable(t2,1,phx);    settable(t3,2,phi3);    settable(t4,1,phx);
   settable(t8,1,phx);    settable(t9,8,phi9);   settable(t10,1,phx);
   settable(t11,1,phy);   settable(t12,4,rec);

/*   INITIALIZE VARIABLES   */

   kappa = 5.4e-3;   lambda = 2.4e-3;

/* get calculated pulse lengths of shaped C13 pulses */
   pwCa90 = c13pulsepw("ca", "co", "square", 90.0);
   pwCa180 = c13pulsepw("ca", "co", "square", 180.0); 
   pwCO90  = c13pulsepw("co", "ca", "sinc", 90.0);
   pwCO180 = c13pulsepw("co", "ca", "sinc", 180.0); 

/* pwZ: the bigger of pwN*2.0 and pwCa180 */
   if (pwN*2.0 > pwCa180) pwZ=pwN*2.0; else pwZ=pwCa180;

/* 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[B] == 'y' ||  dm3[C] == 'y' )
       { printf("incorrect dec3 decoupler flags! Should be '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 ( pwC > 20.0*600.0/sfrq )
       { printf("increase pwClvl so that pwC < 20*600/sfrq");        psg_abort(1);}

   /**********************************************************************/
   /* Calculate t1_counter from sw1 as a generic control of the sequence */
   /* Make sure sw1 is not zero                                          */
   /**********************************************************************/

   angle_C = 90.0 - angle_H;
   if ( (angle_H < 0) || (angle_H > 90) )
   { printf ("angle_H must be between 0 and 90 degree.\n");    psg_abort(1); }

   if ( sw1 < 1.0 )
   { printf ("Please set sw1 to a non-zero value.\n");         psg_abort(1); }

   cos_H = cos (PI*angle_H/180);
   cos_C = cos (PI*angle_C/180);
   swTilt = swH * cos_H + swC * cos_C;

   if (ix ==1)
   {
      printf("\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
      printf ("PR(4,3)D intra_cbd_hccnh\n");
      printf ("Set ni2=1, phase=1,2,3,4 and phase2=1,2 \n");
      printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
      printf ("Angle_H:\t%6.2f degree \t\tAngle_C:\t%f degree\n", angle_H, angle_C);
   }

/* PHASES AND INCREMENTED TIMES */

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

    if (phase1 == 1) {;}                                               /* CC */
    else if (phase1 == 2)  { tsadd(t2, 1, 4); }                        /* SC */
    else if (phase1 == 3)  { tsadd(t3, 1, 4); }                        /* CS */
    else if (phase1 == 4)  { tsadd(t2, 1, 4); tsadd(t3,1,4); }         /* SS */
 
    if (phase2 == 2)  {tsadd(t10,2,4); icosel = +1;}
            else                       icosel = -1;    
    
/* Calculate modifications to phases for States-TPPI acquisition */

   if( ix == 1) d2_init = d2;
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t12,2,4); }
   tau1 = 1.0 * t1_counter * cos_H / swTilt;
   tau2 = 1.0 * t1_counter * cos_C / swTilt;

   tau1 = tau1/2.0;   tau2 = tau2/2.0;

   if (ix == 1) d3_init = d3;
   t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
   if (t2_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }

/*  Set up f2180  */
    tau3 = d3;
    if ((f2180[A] == 'y') && (ni2 > 1.0)) 
    { tau3 += ( 1.0 / (2.0*sw2) ); if(tau3 < 0.2e-6) tau3 = 0.0; }
    tau3 = tau3/2.0;

/*  Hyperbolic sheila_1 seems superior */ 

    tauCH_1 = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;

 if ((ni-1)/(2.0*swTilt/cos_H) > 2.0*tauCH_1)
    {
      if (tau1 > 2.0*tauCH_1) sheila_1 = tauCH_1;
      else if (tau1 > 0)      sheila_1 = 1.0/(1.0/tau1+1.0/tauCH_1 - 1.0/(2.0*tauCH_1));
      else                    sheila_1 = 0.0;
    }
 else
    {
      if (tau1 > 0) sheila_1 = 1.0/(1.0/tau1 + 1.0/tauCH_1 - 2.0*swTilt/cos_H/((double)(ni-1)));
      else          sheila_1 = 0.0;
    }

/* The following check fixes the phase distortion of certain tilts */

   if (sheila_1 > tau1) sheila_1 = tau1;
   if (sheila_1 > tauCH_1) sheila_1 =tauCH_1;

    t1a = tau1 + tauCH_1;
    t1b = tau1 - sheila_1;
    t1c = tauCH_1 - sheila_1;

/* subtract unavoidable delays from epsilon */
    epsilon_1 = epsilon - pwCO180 - WFG_START_DELAY - 4.0e-6 - POWER_DELAY 
                - PWRF_DELAY - gt5 - 2.0*GRADIENT_DELAY - 5.0e-5;

 if ((ni-1)/(2.0*swTilt/cos_C) > 2.0*epsilon_1)
    { 
      if (tau2 > 2.0*epsilon_1) sheila_2 = epsilon_1;
      else if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2+1.0/epsilon_1 - 1.0/(2.0*epsilon_1));
      else          sheila_2 = 0.0;
    }
 else
    {    
      if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2 + 1.0/epsilon_1 - 2.0*swTilt/cos_C/((double)(ni-1)));
      else          sheila_2 = 0.0;
    }

/* The following check fixes the phase distortion of certain tilts */

   if (sheila_2 > tau2) sheila_2 = tau2;
   if (sheila_2 > epsilon_1) sheila_2 = epsilon_1;

    t2a = tau2;
    t2b = tau2 - sheila_2;
    t2c = epsilon_1 - sheila_2;

/*   BEGIN PULSE SEQUENCE   */

status(A);
   delay(d1);
   rcvroff();

   obsoffset(tof - Hali_offset);  obspower(tpwr);        obspwrf(4095.0);
   set_c13offset("gly");      decpower(pwClvl);      decpwrf(4095.0);
   dec2offset(dof2);              dec2power(pwNlvl);     dec2pwrf(4095.0);

   txphase(t2);    delay(1.0e-5);

   dec2rgpulse(pwN, zero, 0.0, 0.0);     /*destroy N15 and C13 magnetization*/
   decrgpulse(pwC, zero, 0.0, 0.0);
      zgradpulse(gzlvl0, gt0);
      delay(gstab);

   rgpulse(pw, t2, 0.0, 0.0);                        /* 1H pulse excitation */
                                                                 /* point a */
      txphase(zero);
      decphase(zero);
      zgradpulse(gzlvl3, gt3);                        /* 2.0*GRADIENT_DELAY */
      delay(gstab);
      delay(t1a - 2.0*pwC);

   decrgpulse(2.0*pwC, zero, 0.0, 0.0);

      delay(t1b);

   rgpulse(2.0*pw, zero, 0.0, 0.0);

      zgradpulse(gzlvl3, gt3);                        /* 2.0*GRADIENT_DELAY */
      txphase(one);
      delay(gstab);
      delay(t1c);
                                                                 /* point b */
   rgpulse(pw, one, 0.0, 0.0);

      obsoffset(tof);
      zgradpulse(gzlvl4, gt4);
      decphase(t3);
      delay(gstab);
     
   decrgpulse(pwC, t3, 0.0, 0.0);
      decphase(zero);
      delay(t2a);
                                  /* WFG_START_DELAY+POWER_DELAY+PWRF_DELAY */
      c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);    /* pwCO180 */

      zgradpulse(gzlvl5, gt5);                        /* 2.0*GRADIENT_DELAY */
      delay(gstab);
      delay(epsilon_1 - 2.0*pw);

   rgpulse(2.0*pw, zero, 0.0, 0.0);
      delay(t2b);

   c13pulse("gly", "co", "square", 180.0, zero, 2.0e-6, 0.0);
      zgradpulse(gzlvl5, gt5);                        /* 2.0*GRADIENT_DELAY */
      delay(gstab);
      delay(t2c);

      c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);

      delay(2.0*pwC/PI);                            /* Compensation for pwC */
      delay(WFG_START_DELAY+PWRF_DELAY + POWER_DELAY);

   decrgpulse(0.5e-3, zero, 2.0e-6, 0.0);           /* 0.5 ms trim(X) pulse */
   
   c13decouple("gly", "DIPSI3", 120.0, ncyc);             /* PRG_STOP_DELAY */


   /* ========= Begin Ca(i)x --> Ca(i)zN(i)z ================*/

   if (cbdec[A] == 'y')
   {  decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1/cbdmf,cbres);
      decon();

      delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6 - PRG_START_DELAY
            - 2*PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY  );

      decoff();
      decprgoff();
   }
   else
   {  delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6
            - PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY  );
   }

   c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 2.0e-6);

   if (cbdec[A] == 'y')
   {  decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1/cbdmf,cbres);
      decon();

      delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
            - PRG_START_DELAY - PRG_STOP_DELAY
            - WFG_START_DELAY - WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);

      decoff();
      decprgoff();
   }
   else
   {
      zgradpulse(gzlvl6, gt6);
      delay(gstab);

      delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
            - gt6 - gstab - 2.0*GRADIENT_DELAY - WFG_START_DELAY
            - WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);
   }

   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);

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

   if (cbdec[A] == 'y')
   {  decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1/cbdmf,cbres);
      decon();

      delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
            - PRG_START_DELAY - PRG_STOP_DELAY 
            - 2*WFG_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);

      decoff();
      decprgoff();
   }
   else
   {
      zgradpulse(gzlvl6, gt6);
      delay(gstab);

      delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
            - gt6 - gstab - 2.0*GRADIENT_DELAY - 2*WFG_START_DELAY
            - 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);   
   }

   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);        /* BSP */

      initval(phi7cal, v7);   decstepsize(1.0);
      decphase(one);    dcplrphase(v7);                     /* SAPS_DELAY */
 
   c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 2.0e-6);
      dcplrphase(zero);

   if (cbdec[A] == 'y')
   {  decpower(cbpwr);
      decphase(zero);
      decprgon(cbdecseq,1/cbdmf,cbres);
      decon();

      delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
            - PRG_START_DELAY - PRG_STOP_DELAY
            - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);

      decoff();
      decprgoff();
   }
   else
   {  delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
            - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
   }

      decphase(one);
   c13pulse("ca", "co", "square", 90.0, one, 2.0e-6, 2.0e-6);

   /* ========= End Ca(i)x --> Ca(i)zN(i)z ================*/  
      zgradpulse(gzlvl7, gt7);
      delay(gstab);

      h1decon("DIPSI2", widthHd, 0.0);
                                   /*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */

/*  xxxxxxxxxxxx   TRIPLE RESONANCE NH EVOLUTION & SE TRAIN   xxxxxxxxxxxx  */

   dec2rgpulse(pwN, t8, 2.0e-6, 2.0e-6);
      decphase(zero);   dec2phase(t9);
      delay(timeTN - WFG3_START_DELAY - tau3);
                                                          /* WFG3_START_DELAY  */
   sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN, 
                  zero, zero, t9, 2.0e-6, 2.0e-6);
   dec2phase(t10);

   if (tau3 > kappa + PRG_STOP_DELAY)
   {
      delay(timeTN - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY 
                  - 2.0*PWRF_DELAY - 2.0e-6);

   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);          /* pwCO180 */

      delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
      h1decoff();                     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
      txphase(zero);
      delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);

      zgradpulse(gzlvl1, gt1);                    /* 2.0*GRADIENT_DELAY */
      delay(gstab);
   }
   else if (tau3 > (kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
   {
      delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
      h1decoff();                     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
      txphase(zero);                     /* WFG_START_DELAY  + 2.0*POWER_DELAY */

   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);          /* pwCO180 */

      delay(kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1 
                       - 2.0*GRADIENT_DELAY - gstab);

      zgradpulse(gzlvl1, gt1);                    /* 2.0*GRADIENT_DELAY */
      delay(gstab);
   }
   else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
   {
      delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
      h1decoff();                     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
      txphase(zero);
      delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
                             - 2.0e-6);
   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);          /* pwCO180 */

      delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);

      zgradpulse(gzlvl1, gt1);                    /* 2.0*GRADIENT_DELAY */
      delay(gstab);
   }
   else
   {
      delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
      h1decoff();                     /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
      txphase(zero);
      delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
                  - 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);

      zgradpulse(gzlvl1, gt1);                    /* 2.0*GRADIENT_DELAY */
      delay(gstab);

   c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);          /* pwCO180 */
      delay(tau3);
   }

   sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);

      txphase(zero);   dec2phase(zero);
      zgradpulse(gzlvl8, gt8);
      delay(lambda - 1.3*pwN - gt8);

   sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);

      zgradpulse(gzlvl8, gt8);
      txphase(one);  dec2phase(t11);
      delay(lambda - 1.3*pwN - gt8);

   sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);

      txphase(zero);
      dec2phase(zero);
      zgradpulse(gzlvl9, gt9);
      delay(lambda - 1.3*pwN - gt9);

   sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);

      dec2phase(t10);
      zgradpulse(gzlvl9, gt9);
      delay(lambda - 0.65*(pw + pwN) - gt9);

   rgpulse(pw, zero, 0.0, 0.0); 
      delay((gt1/10.0) + 1.0e-4 - 0.3*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);  
      delay(1.0e-4);
   rgpulse(2.0*pw, zero, 0.0, 0.0);
      dec2power(dpwr2);                                         /* POWER_DELAY */
      zgradpulse(icosel*gzlvl2, gt1/10.0);                      /* 2.0*GRADIENT_DELAY */
      delay(gstab);

statusdelay(C, gstab);
   setreceiver(t12);
}
Пример #5
0
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        f1180[MAXSTR],   		      /* Flag to start t1 @ halfdwell */
            f2180[MAXSTR],    		      /* Flag to start t2 @ halfdwell */
 	    TROSY[MAXSTR];			    /* do TROSY on N15 and H1 */
 
int         t1_counter,  		        /* used for states tppi in t1 */
            t2_counter,  	 	        /* used for states tppi in t2 */
	    ni = getval("ni"),
	    ni2 = getval("ni2");

double      d2_init=0.0,  		        /* used for states tppi in t1 */
	    d3_init=0.0,  	 	        /* used for states tppi in t2 */
	    tau1,         				         /*  t1 delay */
         BPdpwrspinlock,        /*  user-defined upper limit for spinlock(Hz) */
         BPpwrlimits,           /*  =0 for no limit, =1 for limit             */
	    t1a,		       /* time increments for first dimension */
	    t1b,
	    t1c,
	    tauCH = getval("tauCH"), 		         /* 1/4J delay for CH */
            timeTN = getval("timeTN"),     /* constant time for 15N evolution */
	    epsilon = 1.05e-3,				      /* other delays */
	    zeta = 3.0e-3,
	    eta = 4.6e-3,
	    theta = 14.0e-3,
	    sheila,  /* to transfer J evolution time hyperbolically into tau1 */

	pwClvl = getval("pwClvl"), 	        /* coarse power for C13 pulse */
        pwC = getval("pwC"),          /* C13 90 degree pulse length at pwClvl */
 
   widthHd,

   pwS1,					/* length of square 90 on Cab */
   pwS2,					/* length of square 180 on Ca */
   phi7cal = getval("phi7cal"),  /* phase in degrees of the last C13 90 pulse */
   spinlock = getval("spinlock"), 	/* DIPSI-3 spinlock field */
   ncyc = getval("ncyc"), 	/* no. of cycles of DIPSI-3 decoupling on Cab */

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

	sw1 = getval("sw1"),
	sw2 = getval("sw2"),
        waltzB1 = getval("waltzB1"),
	gt0 = getval("gt0"),				   /* other gradients */
	gt3 = getval("gt3"),
	gt4 = getval("gt4"),
	gzlvl0 = getval("gzlvl0"),
	gzlvl3 = getval("gzlvl3"),
	gzlvl4 = getval("gzlvl4");

    getstr("f1180",f1180);
    getstr("f2180",f2180);
    getstr("TROSY",TROSY);

    widthHd=2.069*(waltzB1/sfrq);  /* produces same field as std. sequence */

/*   LOAD PHASE TABLE    */

	settable(t3,1,phx);
	settable(t4,1,phx);
	settable(t5,2,phi5);
	settable(t6,2,phi6);
   if (TROSY[A]=='y')
       {settable(t8,1,phy);
	settable(t9,1,phx);
 	settable(t10,1,phy);
	settable(t11,1,phx);
	settable(t12,2,recT);}
    else
       {settable(t8,1,phx);
	settable(t9,8,phi9);
	settable(t10,1,phx);
	settable(t11,1,phy);
	settable(t12,4,rec);}

        

/*   INITIALIZE VARIABLES   */

  P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
  P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
  if (BPpwrlimits > 0.5)
  {
   if (spinlock > BPdpwrspinlock)
    {
     printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
     psg_abort(1);
    }
  }
 	kappa = 5.4e-3;
	lambda = 2.4e-3;

    if( pwC > 24.0*600.0/sfrq )
	{ printf("increase pwClvl so that pwC < 24*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); 
	

/* CHECK VALIDITY OF PARAMETER RANGES */

    if ( gt4 > epsilon - 0.6*pwC)
       { printf(" gt4 is too big. Make gt4 equal to %f or less.\n", 
  	 (epsilon - 0.6*pwC)); psg_abort(1);}

    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 > 50 )
       { 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 (phase1 == 2) tsadd(t3,1,4);  
    if (TROSY[A]=='y')
	 {  if (phase2 == 2)   				      icosel = +1;
            else 	    {tsadd(t4,2,4);  tsadd(t10,2,4);  icosel = -1;}
	 }
    else {  if (phase2 == 2)  {tsadd(t10,2,4); icosel = +1;}
            else 			       icosel = -1;    
	 }



/*  C13 TIME INCREMENTATION and set up f1180  */

/*  Set up f1180  */

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



/*  Hyperbolic sheila seems superior to original zeta approach  */ 

			          /* subtract unavoidable delays from tauCH */
    tauCH = tauCH - gt0 - 2.0*GRADIENT_DELAY - 5.0e-5;

 if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
    { 
      if (tau1 > 2.0*tauCH) sheila = tauCH;
      else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
      else          sheila = 0.0;
    }
 else
    {    
      if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
      else          sheila = 0.0;
    }
    t1a = tau1 + tauCH;
    t1b = tau1 - sheila;
    t1c = tauCH - sheila;



/*  Set up f2180  */

    tau2 = d3;
    if((f2180[A] == 'y') && (ni2 > 1.0)) 
	{ 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) d2_init = d2; 
   t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
   if(t1_counter % 2) 
	{ tsadd(t3,2,4); tsadd(t12,2,4); }

   if( ix == 1) d3_init = d3; 
   t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
   if(t2_counter % 2) 
	{ tsadd(t8,2,4); tsadd(t12,2,4); }



/*   BEGIN PULSE SEQUENCE   */

status(A);
   	delay(d1);
        if ( dm3[B] == 'y' )
          { lk_hold(); lk_sampling_off();}  /*freezes z0 correction, stops lock pulsing*/

	rcvroff();
        set_c13offset("cab");
	obsoffset(tof);
	obspower(tpwr);
 	obspwrf(4095.0);
	decpower(pwClvl);
	decpwrf(4095.0);
 	dec2power(pwNlvl);
	txphase(three);
	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(1.0e-4);
        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(5.0e-4);

      if ( dm3[B] == 'y' )     /* begins optional 2H decoupling */
        {
          gzlvl0=0.0; gzlvl3=0.0; gzlvl4=0.0;  /* no gradients during 2H decoupling */
          dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
          dec3unblank();
          dec3phase(zero);
          delay(2.0e-6);
          setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
        }

	rgpulse(pw, three, 0.0, 0.0);                  /* 1H pulse excitation */
                                             			/* point a */
        txphase(zero);
        decphase(zero);
	zgradpulse(gzlvl0, gt0); 			/* 2.0*GRADIENT_DELAY */
	delay(5.0e-5);
	delay(t1a - 2.0*pwC);

        decrgpulse(2.0*pwC, zero, 0.0, 0.0);

	delay(t1b);

	rgpulse(2.0*pw, zero, 0.0, 0.0);

	zgradpulse(gzlvl0, gt0);   	 	        /* 2.0*GRADIENT_DELAY */
        txphase(t3);
	delay(5.0e-5);
	delay(t1c);
             							/* point b */
	rgpulse(pw, t3, 0.0, 0.0);	
	zgradpulse(gzlvl3, gt3);
	delay(2.0e-4);
        decrgpulse(pwC, zero, 0.0, 0.0);
					                        /* point c */
	zgradpulse(gzlvl4, gt4);
	delay(epsilon - gt4 - 0.6*pwC);

							  /* WFG2_START_DELAY */
	sim_c13pulse("", "cab", "co", "square", 2.0*pw, 180.0,
						zero, zero, 2.0e-6, 2.0e-6);
	delay(WFG2_START_DELAY);
	zgradpulse(gzlvl4, gt4);
	delay(epsilon - gt4);
                     						/* point d */	
	decrgpulse(0.5e-3, zero, 0.0, 0.0);
	c13decouple("cab", "DIPSI3", 2.0*spinlock/dfrq, ncyc);	    /* PRG_STOP_DELAY */
				              			/* point e */	
	h1decon("DIPSI2", widthHd, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */

	decphase(t5);
	delay(zeta - PRG_STOP_DELAY - PRG_START_DELAY - POWER_DELAY -
 						PWRF_DELAY - 0.5*10.933*pwC);

	decrgpulse(pwC*158.0/90.0, t5, 0.0, 0.0);
	decrgpulse(pwC*171.2/90.0, t6, 0.0, 0.0);
	decrgpulse(pwC*342.8/90.0, t5, 0.0, 0.0);	/* Shaka composite   */
	decrgpulse(pwC*145.5/90.0, t6, 0.0, 0.0);
	decrgpulse(pwC*81.2/90.0, t5, 0.0, 0.0);
	decrgpulse(pwC*85.3/90.0, t6, 0.0, 0.0);

	decphase(zero);
	delay(zeta - 0.5*10.933*pwC - 0.6*pwS1 - WFG_START_DELAY - 2.0e-6);

				        		  /* WFG_START_DELAY  */
	c13pulse("cab", "co", "square", 90.0, zero, 2.0e-6, 0.0);  /* point f */
	decphase(t5);
        if ( dm3[B] == 'y' )   /* turns off 2H decoupling  */
           {
           gzlvl0=getval("gzlvl0");
           gzlvl3=getval("gzlvl3");
           gzlvl4=getval("gzlvl4");
           setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
           dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
           dec3blank();
           lk_autotrig();   /* resumes lock pulsing */
           }
	zgradpulse(gzlvl3, gt3);
	delay(2.0e-4);
	c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);
	     							/* point g */ 

 	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);
                              					/* point h */

	nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h  */
        if (dm3[B]=='y') lk_sample();

}