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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050286
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.089
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.0458 4.445443   1  0  1    2   20.0469  4.445201    0.0011  0.000242
   27.0251 3.307339   2  0  0    2   27.0313  3.306589    0.0062  0.000750
   33.8473 2.652926   2  1  1    2   33.8453  2.653075   -0.0020 -0.000149
   35.5868 2.526808   1  1  2    2   35.5958  2.526185    0.0090  0.000623
   38.5568 2.338274   2  2  0    2   38.5596  2.338112    0.0028  0.000163
   40.6597 2.221793   2  0  2    2   40.6443  2.222600   -0.0154 -0.000807
   43.7986 2.069239   3  0  1    2   43.7968  2.069319   -0.0018 -0.000080
   47.5115 1.915526   1  0  3    2   47.5125  1.915489    0.0010  0.000036
   53.4412 1.715762   3  1  2    2   53.4354  1.715936   -0.0058 -0.000174
   59.6980 1.549737   4  1  1    2   59.7043  1.549587    0.0063  0.000150
   61.8377 1.501069   0  0  4    2   61.8428  1.500958    0.0051  0.000112
   67.7545 1.383486   3  3  2    2   67.7611  1.383366    0.0066  0.000119
   68.6957 1.366783   2  0  4    2   68.6982  1.366739    0.0025  0.000045
   73.3186 1.291486   4  3  1    2   73.3069  1.291664   -0.0117 -0.000178
   75.2529 1.262976   2  2  4    2   75.2448  1.263093   -0.0081 -0.000116
   80.7097 1.190680   5  1  2    2   80.7174  1.190585    0.0077  0.000094

 rmse = 0.00008810936
 
     A =6.6132(3)              B =6.6132(3)               C =6.0038(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 262.57(2)