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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050644
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.108
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.0497 3.306616   1  2  1    2   27.0379  3.308037   -0.0118 -0.001421
   46.4293 1.958451   6  3  1    2   46.4203  1.958812   -0.0090 -0.000361
   35.4664 2.536422   1  3  1    2   35.4648  2.536532   -0.0016 -0.000109
   30.4508 2.943281   3  2  1    2   30.4498  2.943376   -0.0010 -0.000095
   33.1724 2.706968   4  2  1    2   33.1722  2.706985   -0.0002 -0.000018
   36.0646 2.495584   2  0  2    2   36.0673  2.495404    0.0027  0.000181
   31.1907 2.874885   6  1  0    2   31.1935  2.874635    0.0028  0.000250
   52.8212 1.735034   2  5  0    2   52.8253  1.734907    0.0041  0.000127
   31.7130 2.828556   5  1  1    2   31.7265  2.827378    0.0135  0.001179

 rmse = 0.00007054831
 
     A =18.240(4)              B =8.8359(9)               C =5.189(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 836.3(2)