******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060583
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.065
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1450 7.978534   1  0  0    2   11.1411  7.981340   -0.0039 -0.002806
   27.3198 3.269300   1  1  2    2   27.3152  3.269846   -0.0046 -0.000546
   31.2168 2.868637   2  1  1    2   31.2136  2.868928   -0.0032 -0.000291
   33.7243 2.660448   3  0  0    2   33.7243  2.660447    0.0000  0.000001
   35.5216 2.529601   2  1  2    2   35.5268  2.529245    0.0052  0.000356
   38.8496 2.319860   0  0  4    2   38.8414  2.320333   -0.0082 -0.000473
   40.5151 2.228102   1  0  4    2   40.5154  2.228086    0.0003  0.000016
   40.7911 2.213637   3  1  0    2   40.7913  2.213625    0.0002  0.000011
   41.9883 2.153149   3  1  1    2   41.9866  2.153231   -0.0017 -0.000082
   43.8996 2.063596   2  2  2    2   43.8980  2.063668   -0.0016 -0.000072
   49.5874 1.839080   2  1  4    2   49.5838  1.839204   -0.0036 -0.000124
   50.7298 1.800259   3  1  3    2   50.7298  1.800259    0.0000  0.000000
   52.3382 1.748588   3  0  4    2   52.3350  1.748688   -0.0032 -0.000100
   52.5577 1.741792   4  1  0    2   52.5616  1.741671    0.0039  0.000121
   53.5517 1.711743   4  1  1    2   53.5500  1.711793   -0.0017 -0.000049
   53.8422 1.703180   3  2  2    2   53.8396  1.703256   -0.0026 -0.000076
   61.0585 1.517817   4  1  3    2   61.0637  1.517700    0.0052  0.000117
   61.4736 1.508549   4  2  0    2   61.4834  1.508332    0.0098  0.000218
   63.4334 1.466531   1  1  6    2   63.4366  1.466465    0.0032  0.000066
   63.8358 1.458244   3  3  2    2   63.8375  1.458209    0.0017  0.000035
   67.2100 1.392927   4  1  4    2   67.2100  1.392927    0.0000 -0.000001
   78.4107 1.219446   5  1  4    2   78.4042  1.219530   -0.0065 -0.000085
   78.8313 1.213985   2  1  7    2   78.8432  1.213832    0.0119  0.000153
   79.3060 1.207900   4  3  3    2   79.3004  1.207972   -0.0056 -0.000072
   83.2729 1.160096   0  0  8    2   83.2667  1.160166   -0.0062 -0.000071

 rmse = 0.00006326557
 
     A =9.2161(2)              B =9.2161(2)               C =9.2813(3)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 682.70(3)