The itoinp.dat file called by default by ito.exe

Na/COO
9009 1 1 1                                                            4.0
0.076
 16.940
 18.827
 23.965
 25.523
 30.021
 30.751
 31.543
 32.311
 34.020
 34.650
 36.014
 38.499
 39.476
 41.363
 42.117
 43.083
 43.640
 44.238
 44.490
 45.693
0.0
END

Results :

 PROGRAM TO FIND THE UNIT CELL OF

 Na/COO                                                                

 VERSION 12 

 THE WAVELENGTH IS    1.5406
 THE INPUT CONSISTED OF THE FOLLOWING  20 LINES 
   16.940       30.021       34.020       39.476       43.640   
   18.827       30.751       34.650       41.363       44.238   
   23.965       31.543       36.014       42.117       44.490   
   25.523       32.311       38.499       43.083       45.693   
 TOLG, THE TOLERANCE ON TWOTHETA IS  .040
 Na/COO                                                                

----------------------------------------------------------------------
 ZONES AFTER EVALUATION AND REFINEMENT ON TWOTHETA

 NEWNR   A       B     FMAAS   QUALITY  OLDNR CNTR NOBS NCALC ZERSHFT

   1    92.3  1189.3    29.6 5132581000.  17.   0.   5.   5.   -.011
   2    92.2   362.2      .0  332467300.   7.   0.   5.   6.   -.010
   3   369.0   827.1    59.9    1578898.  13.   0.   2.   3.    .000
   4   369.8   454.6     2.4    1439044.   8.   0.   2.   5.    .000
   5   731.3   827.5    58.1     473669.  32.   0.   1.   1.    .000
   6   454.1   826.8    29.9     288419.  23.   0.   1.   1.    .000
   7   455.3  1135.4   338.7     256912.  26.   0.   1.   1.    .000
   8   730.9  1136.0   556.2     171738.  33.   0.   1.   1.    .000




 Na/COO                                                                
----------------------------------------------------------------------

               TRIAL LATTICES AFTER INDEXING AND LS REFINEMENT

              ONLY THE FIRST 20 LINES ARE CONSIDERED FOR INDEXING 

                                                       LINES FIGUR LAT
      A        B        C        D         E        F  INDXD MERIT TYP
 
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.1  P


 Na/COO                                                                
----------------------------------------------------------------------

                    THE  7 MOST PROBABLE SOLUTIONS 



                                                       LINES FIGUR LAT
    Q(A)     Q(B)     Q(C)     Q(D)      Q(E)     Q(F) INDXD MERIT TYP
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.2  P
      92.3    362.1    827.2       .0     29.8       .0   20.  51.1  P


                     THE DIRECT CONSTANTS OF THESE LATTICES

     A        B        C       ALFA     BETA     GAMMA      VOLUME
   10.4235   5.2550   3.4821  90.0000  93.0894  90.0000      190.45
   10.4234   5.2550   3.4821  90.0000  93.0894  90.0000      190.45
   10.4235   5.2550   3.4821  90.0000  93.0894  90.0000      190.45
   10.4235   5.2550   3.4821  90.0000  93.0895  90.0000      190.45
   10.4235   5.2550   3.4821  90.0000  93.0894  90.0000      190.45
   10.4235   5.2550   3.4821  90.0000  93.0895  90.0000      190.45
   10.4235   5.2550   3.4821  90.0000  93.0895  90.0000      190.45


 *********************************************************************
 *                                                                   *
 * THIS PROGRAM GIVES A NUMBER OF SUGGESTIONS THAT MAY HELP YOU TO   *
 * FIND THE UNIT CELL THAT EXPLAINS YOUR EXPERIMENTAL DATA. HOWEVER  *
 *                                                                   *
 *     WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW     *
 *     W                                                       W     *
 *     W  IT IS ENTIRELY THE USERS RESPONSIBILITY TO DECIDE    W     *
 *     W  WHETHER ANY OF THE SUGGESTED UNIT CELLS IS THE       W     *
 *     W   CORRECT CELL.                                       W     *
 *     W                                                       W     *
 *     WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW     *
 *                                                                   *
 *********************************************************************


    SOLUTION NR. 1  
     92.31   362.13   827.16      .00    29.78      .00   20.  51.2



     ************************************************
     *   USE THE LIST TO FIND SYSTEMATIC ABSENCES   *
     ************************************************

 LIST OF ALL OBSERVED AND CALCULATED LINES UP TO THE  20ST.
 IF THE TWOTHETAS DIFFER MORE THAN  .040  DEGREES, 
 A BLANK LINE IS INSERTED. 

   TWOTHETA       D       H   K   L     Q    

       8.49    10.412     1   0   0    92.2

      16.86     5.256     0   1   0   362.0

      17.02     5.207     *OBSERVED   368.9       
      17.02     5.205     2   0   0   369.1

      18.90     4.692     1   1   0   454.3
      18.90     4.691     *OBSERVED   454.5       

      24.04     3.699     *OBSERVED   731.0       
      24.04     3.698     2   1   0   731.2

      25.60     3.477     0   0   1   827.0
      25.60     3.477     *OBSERVED   827.2       

      25.65     3.470     3   0   0   830.6

      26.56     3.353     1   0  -1   889.5

      27.45     3.246     1   0   1   949.0

      30.10     2.967     *OBSERVED  1136.1       
      30.10     2.966     2   0  -1  1136.6

      30.81     2.900     0   1   1  1189.1
      30.83     2.898     *OBSERVED  1190.5       
      30.86     2.896     3   1   0  1192.7

      31.62     2.827     *OBSERVED  1250.9       
      31.63     2.827     1   1  -1  1251.6

      31.68     2.822     2   0   1  1255.7

      32.39     2.762     *OBSERVED  1310.8       
      32.39     2.762     1   1   1  1311.1

      34.09     2.628     0   2   0  1448.3
      34.10     2.627     *OBSERVED  1448.5       

      34.44     2.602     4   0   0  1476.7

      34.70     2.583     2   1  -1  1498.7
      34.73     2.581     *OBSERVED  1500.9       

      35.20     2.548     1   2   0  1540.6

      35.52     2.525     3   0  -1  1568.3

      36.09     2.487     *OBSERVED  1617.1       
      36.10     2.486     2   1   1  1617.8

      37.56     2.392     3   0   1  1747.0

      38.34     2.346     2   2   0  1817.5

      38.58     2.332     *OBSERVED  1838.7       
      38.58     2.332     4   1   0  1838.8

      39.55     2.277     *OBSERVED  1929.3       
      39.56     2.276     3   1  -1  1930.4

      41.44     2.177     3   1   1  2109.1
      41.44     2.177     *OBSERVED  2109.5       

      42.19     2.140     *OBSERVED  2183.4       
      42.21     2.139     4   0  -1  2184.7

      43.12     2.096     0   2   1  2275.4
      43.15     2.095     3   2   0  2279.0
      43.16     2.094     *OBSERVED  2279.7       

      43.43     2.082     5   0   0  2307.4

      43.72     2.069     *OBSERVED  2336.1       
      43.73     2.068     1   2  -1  2337.9

      44.31     2.042     *OBSERVED  2397.2       
      44.32     2.042     1   2   1  2397.4

      44.56     2.032     4   0   1  2422.9
      44.57     2.031     *OBSERVED  2423.1       

      45.75     1.982     4   1  -1  2546.8
      45.77     1.981     *OBSERVED  2548.6       

 THERE ARE  0 UNINDEXED LINES AMONGST THE FIRST 20 INDEXED LINES. 


    SOLUTION NR. 1  
     92.31   362.12   827.16      .00    29.78      .00   20.  51.2
 ZEROSHIFT=   -.0030



                     THE DIRECT CONSTANTS OF THESE LATTICES

     A        B        C       ALFA     BETA     GAMMA      VOLUME
   10.4235   5.2550   3.4821  90.0000  93.0894  90.0000      190.45

 Na/COO