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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050640
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.085
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.4184 5.773842   1  1  0    2   15.4288  5.769970    0.0104  0.003872
   20.0692 4.439380   0  0  2    2   20.0761  4.437873    0.0069  0.001507
   21.8413 4.081618   2  0  0    2   21.8501  4.079985    0.0088  0.001634
   24.4509 3.650059   2  1  0    2   24.4564  3.649249    0.0055  0.000810
   29.7979 3.004254   2  0  2    2   29.8050  3.003551    0.0071  0.000703
   31.0513 2.885450   2  2  0    2   31.0564  2.884985    0.0051  0.000465
   31.8007 2.818959   2  1  2    2   31.8040  2.818670    0.0033  0.000289
   34.8173 2.580717   3  1  0    2   34.8216  2.580409    0.0043  0.000308
   37.2194 2.419108   2  2  2    2   37.2242  2.418806    0.0048  0.000302
   39.2576 2.297804   2  1  3    2   39.2510  2.298178   -0.0066 -0.000375
   40.4861 2.230721   3  1  2    2   40.4860  2.230727   -0.0001 -0.000006
   44.4567 2.039881   4  0  0    2   44.4541  2.039992   -0.0026 -0.000111
   45.8928 1.979214   4  1  0    2   45.8960  1.979083    0.0032  0.000131
   46.6323 1.949478   2  0  4    2   46.6368  1.949300    0.0045  0.000177
   47.3056 1.923239   3  3  0    2   47.3034  1.923323   -0.0022 -0.000084
   48.0323 1.895772   2  1  4    2   48.0274  1.895953   -0.0049 -0.000181
   49.2003 1.853387   4  0  2    2   49.1960  1.853540   -0.0043 -0.000153
   50.0322 1.824449   4  2  0    2   50.0271  1.824625   -0.0051 -0.000176
   50.5336 1.807485   4  1  2    2   50.5333  1.807496   -0.0003 -0.000010
   64.0995 1.453291   3  3  4    2   64.0963  1.453355   -0.0032 -0.000064
   65.0677 1.433959   5  2  2    2   65.0664  1.433984   -0.0013 -0.000026
   68.4562 1.370913   2  1  6    2   68.4550  1.370935   -0.0012 -0.000021
   69.0858 1.359934   6  0  0    2   69.0822  1.359995   -0.0036 -0.000061
   70.5924 1.334521   5  3  2    2   70.5852  1.334639   -0.0072 -0.000118
   76.9705 1.238929   6  2  2    2   76.9720  1.238909    0.0015  0.000020
   78.0133 1.224938   5  4  2    2   78.0183  1.224872    0.0050  0.000066
   83.3361 1.159610   6  0  4    2   83.3429  1.159533    0.0068  0.000077

 rmse = 0.00004948394
 
     A =     8.1599(1)         B =     8.1599(1)          C =     8.8757(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    590.99(3)