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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050428
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   29.2215 3.057737   2  2  2    2   29.2217  3.057715    0.0002  0.000022
   33.7941 2.653233   4  0  0    2   33.7889  2.653626   -0.0052 -0.000394
   33.9991 2.637683   0  0  4    2   34.0078  2.637028    0.0087  0.000655
   48.5046 1.876737   4  4  0    2   48.5139  1.876397    0.0093  0.000340
   48.6705 1.870722   4  0  4    2   48.6766  1.870501    0.0061  0.000221
   57.6322 1.599111   6  2  2    2   57.6256  1.599279   -0.0066 -0.000168
   57.9257 1.591700   2  2  6    2   57.9140  1.591994   -0.0117 -0.000294
   71.0213 1.326768   8  0  0    2   71.0185  1.326813   -0.0028 -0.000045
   78.5620 1.217156   6  6  2    2   78.5615  1.217163   -0.0005 -0.000007
   78.8037 1.214026   6  2  6    2   78.8102  1.213942    0.0065  0.000084

 rmse = 0.00008680267
 
     A =10.6145(5)             B =10.6145(5)              C =10.548(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1188.4(1)