AU program qcpmgsplit for splitting QCPMG echo train and xwinnmr3.5 operating system

Code for Avance spectrometers with xwinnmr 3.5 operating system

AU program for splitting echo train acquired with qcpmgall.av pulse program:

/******************************************************************************
qcpmgsplit (xwinnmr3.5)

AU program for splitting echo train acquired with the pulse program qcpmgall.av 
into a series of 1D files containing each an echo
*******************************************************************************/

int size, sizeout, si2, tdout, td2, ireal, irealecho, sizeofint, parmod, zeroth;
int pivot, startExpno;
char binfile[255], boutfile[255], pulprog[255];
int *in1, *in2;
int order_a_BIT, first, echopoints, echos, l22, dead;
float del3, del6, pul3, pul4, dwell;
double swh;
char s1[255];

GETCURDATA;

startExpno = expno;

/* ---------------------------------------------*/
/* make sure program works on proper data set */

FETCHPARS("PARMODE",&parmod);
if (parmod != 0) STOPMSG(" Program only works on 1D data");
FETCHPARS("PULPROG",pulprog);
if (strcmp(pulprog,"qcpmgall.av")!=0) { 
   Proc_err(0,"Wrong AU program for %s pulse program",pulprog);
   return(AUERR);
}

/* ---------------------------------------------*/
/* make sure that pivot point can be entered */

(void) sprintf(s1,"%s %s","au_qcpmg AU program","- Note \n\
- If you don't know the pivot point yet,\n\
  press Cancel and check with\n\
  'calibrate'\n\
- otherwise press OK and continue");
FETCHPARS("FL1",&pivot);
if (pivot>80) {
   AUERR=Proc_err(ERROPT_AK_CAN|ERROPT_BEEP_DEF,"%s",s1);
   if (AUERR == ERR_CANCEL) ABORT
}

/* ---------------------------------------------*/
/* get relevant acquisition parameters */

FETCHPARS("TD",&td2);
FETCHPARS("SI",&si2);
FETCHPARS("SW_h",&swh);
FETCHPARS("D 6",&del6);
FETCHPARS("D 3",&del3);
FETCHPARS("P 3",&pul3);
FETCHPARS("P 4",&pul4);
FETCHPARS("L 22",&l22);
FETCHPARS("DW",&dwell);
FETCHPARS("BYTORDA",&order_a_BIT);

/* ---------------------------------------------*/
/* check for starting point */

if (pivot>80) pivot=(int)((10/dwell));
if (strlen(cmd) == 0) {
   GETINT("Enter pivot point : ",pivot);
}
else {
   if (1 != sscanf(cmd, "%d", &pivot)){
      STOPMSG("illegal input");
   }
}

/* ---------------------------------------------*/
/* calculate required loop parameters */

zeroth=(int)((pul3+del3*2000000.0+pul4)/dwell+0.5)+pivot;
zeroth=(zeroth/2)*2;
first=(int)((del6*1000000.0+del3*2000000.0+pul4)/dwell+0.5)+zeroth;
first=(first/2)*2;
echopoints=(int)(del6*2000000.0/dwell+0.5);
echopoints=(echopoints/2)*2;
dead=(int)((del3*2000000.0+pul4)/dwell+0.5)+2;
dead=(dead/2)*2;
echos=l22;
tdout=echopoints*echos+echopoints/2;
sizeout=tdout*sizeof(int);

/* ---------------------------------------------*/
/* open file and allocate array  */

(void)sprintf(binfile,"%s/data/%s/nmr/%s/%d/fid",disk,user,name,expno);
sizeofint=sizeof(int);
size=td2*sizeofint;
in1=calloc(td2,sizeof(int));
in2=calloc(td2,sizeof(int));

if ( (ireal=open(binfile, O_RDWR)) == -1) {
   Perror(DEF_ERR_OPT,binfile);
   ABORT;
}
if ( read(ireal,in1,size) == -1 ) {
   Perror(DEF_ERR_OPT,binfile);
   ABORT;
}

/* ---------------------------------------------*/
/* create final output array   */

i2 = startExpno + 1;

TIMES(echos);
   WRA(i2)
   i2++;
END;

i1 = zeroth + first;
i3 = startExpno + 1;

TIMES(echos);

   (void)sprintf(boutfile,"%s/data/%s/nmr/%s/%d/fid",disk,user,name,i3);

   if ( (irealecho=open(boutfile, O_RDWR)) == -1) {
      Perror(DEF_ERR_OPT,boutfile);
      ABORT;
   }

   i2=0;
   TIMES2(td2);
      in2[i2]=0;
      i2++;
   END;

   i2=0;
   TIMES2(echopoints);
      in2[i2]=in1[i1];
      i2++;
      i1++;
   END;

   if ( lseek(irealecho, 0, SEEK_SET) == -1 ) {
      Perror(DEF_ERR_OPT,boutfile);
      ABORT;
   }
   if ( write(irealecho,in2,sizeout) == -1 ) {
      Perror(DEF_ERR_OPT,boutfile);
      ABORT;
   }

/* ---------------------------------------------*/
/* correct relevant acquisition parameters */

   STOREPARS("TD",tdout);
   STOREPAR("TDeff",echopoints);
   STOREPAR("SI",tdout*2);

   (void)close(irealecho);
   i1+=dead-2;
   i3++;
END;

(void)close(ireal);
free(in2);
free(in1);

(void)sprintf(text,"QCPMG split transformation done");
Show_status(text);
QUIT