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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050487
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.036
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.0188 6.328235   1  0  1    2   14.0219  6.326832    0.0031  0.001402
   17.9342 4.951731   0  2  1    2   17.9390  4.950403    0.0048  0.001329
   19.3573 4.590107   3  0  0    2   19.3589  4.589739    0.0016  0.000368
   21.1596 4.202368   2  1  1    2   21.1603  4.202236    0.0007  0.000132
   22.3820 3.975172   2  2  0    2   22.3839  3.974830    0.0019  0.000342
   25.8520 3.448189   0  1  2    2   25.8520  3.448183    0.0000  0.000005
   26.4944 3.365907   1  3  1    2   26.4959  3.365724    0.0015  0.000183
   28.8090 3.100189   4  0  1    2   28.8166  3.099385    0.0076  0.000804
   29.7551 3.003614   4  1  0    2   29.7442  3.004689   -0.0109 -0.001075
   30.4196 2.939421   1  2  2    2   30.4214  2.939251    0.0018  0.000170
   34.9387 2.568487   0  5  1    2   34.9374  2.568581   -0.0013 -0.000094
   38.5420 2.336018   5  1  1    2   38.5382  2.336237   -0.0038 -0.000219
   41.4427 2.178825   5  0  2    2   41.4474  2.178589    0.0047  0.000236
   41.8743 2.157341   4  3  1    2   41.8744  2.157337    0.0001  0.000004
   47.5854 1.910693   3  4  2    2   47.5919  1.910448    0.0065  0.000245
   49.4081 1.844336   6  2  1    2   49.4081  1.844335    0.0000  0.000001
   54.5170 1.682838   2  6  2    2   54.5162  1.682862   -0.0008 -0.000024
   55.6925 1.650047   0  6  3    2   55.6893  1.650134   -0.0032 -0.000087
   56.1625 1.637339   2  7  1    2   56.1697  1.637148    0.0072  0.000192
   57.9967 1.589813   5  5  0    2   57.9919  1.589932   -0.0048 -0.000119
   62.0561 1.495142   0  5  4    2   62.0442  1.495400   -0.0119 -0.000259
   75.0268 1.265456   5  0  5    2   75.0330  1.265366    0.0062  0.000089

 rmse = 0.00005614400
 
     A =    15.8993(6)         B =    15.8993(6)          C =     7.1233(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1559.4(1)