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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060425
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.4873 4.342325   0  2  0    2   20.4857  4.342652   -0.0016 -0.000327
   25.1553 3.544443   2  0  2    2   25.1559  3.544366    0.0006  0.000077
   29.1182 3.069577   0  0  4    2   29.1161  3.069792   -0.0021 -0.000215
   32.6381 2.745597   1  1  4    2   32.6362  2.745751   -0.0019 -0.000154
   35.8379 2.507093   1  3  2    2   35.8391  2.507013    0.0012  0.000080
   41.6203 2.170726   2  2  4    2   41.6196  2.170760   -0.0007 -0.000034
   43.6194 2.075643   1  2  5    2   43.6185  2.075685   -0.0009 -0.000042
   49.2310 1.851124   2  0  6    2   49.2315  1.851108    0.0005  0.000016
   51.5762 1.772242   4  0  4    2   51.5780  1.772183    0.0018  0.000059
   53.8387 1.702910   2  2  6    2   53.8405  1.702857    0.0018  0.000052
   68.3121 1.372868   2  2  8    2   68.3117  1.372875   -0.0004 -0.000007
   75.9101 1.253129   6  2  4    2   75.9093  1.253140   -0.0008 -0.000011

 rmse = 0.00001424211
 
     A =8.6815(1)              B =8.6853(4)               C =12.2792(2)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 925.87(4)