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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050055
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.054
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5764 9.280079   0  0  2    2    9.5831  9.273595    0.0067  0.006484
   16.8747 5.266431   0  1  1    2   16.8822  5.264115    0.0075  0.002316
   19.1310 4.648340   1  0  0    2   19.1304  4.648486   -0.0006 -0.000147
   21.4123 4.156722   1  0  2    2   21.4180  4.155635    0.0057  0.001087
   25.1432 3.546410   1  1  0    2   25.1349  3.547569   -0.0083 -0.001159
   25.5991 3.484142   1  1  1    2   25.5972  3.484403   -0.0019 -0.000261
   26.9401 3.313330   1  1  2    2   26.9395  3.313401   -0.0006 -0.000071
   27.1895 3.283441   1  0  4    2   27.1946  3.282836    0.0051  0.000605
   31.7907 2.817119   1  1  4    2   31.7861  2.817516   -0.0046 -0.000397
   32.6474 2.745003   0  2  0    2   32.6482  2.744939    0.0008  0.000064
   38.8645 2.318390   0  0  8    2   38.8644  2.318399   -0.0001 -0.000009
   51.5291 1.773819   2  2  0    2   51.5302  1.773785    0.0011  0.000034
   55.1693 1.664963   2  1  7    2   55.1692  1.664967   -0.0001 -0.000004

 rmse = 0.00002771685
 
     A =     4.6484(3)         B =     5.4898(5)          C =    18.547(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    473.31(4)