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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050456
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.018
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   40.4805 2.225553   0  2  2    2   40.4883  2.225143    0.0078  0.000410
   37.0966 2.420320   2  1  0    2   37.1042  2.419843    0.0076  0.000477
   38.7108 2.323076   1  2  1    2   38.7117  2.323027    0.0009  0.000049
   69.5918 1.349508   4  0  0    2   69.5926  1.349494    0.0008  0.000014
   69.1612 1.356852   2  2  4    2   69.1613  1.356850    0.0001  0.000002
   32.9639 2.713528   1  1  2    2   32.9618  2.713700   -0.0021 -0.000172
   54.4400 1.683487   1  3  1    2   54.4364  1.683590   -0.0036 -0.000103
   33.1524 2.698538   2  0  0    2   33.1467  2.698988   -0.0057 -0.000451
   40.8366 2.206972   2  0  2    2   40.8308  2.207274   -0.0058 -0.000302

 rmse = 0.00005423313
 
     A =5.3980(2)              B =5.4637(4)               C =7.6711(8)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 226.24(2)