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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050375
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.036
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.0205 4.439379   2  0  0    2   20.0124  4.441171   -0.0081 -0.001792
   20.5032 4.335755   0  1  1    2   20.5060  4.335164    0.0028  0.000591
   22.8378 3.896827   1  1  1    2   22.8432  3.895909    0.0054  0.000919
   23.6010 3.772317   2  0  1    2   23.5981  3.772778   -0.0029 -0.000461
   24.9125 3.576326   0  0  2    2   24.9183  3.575500    0.0058  0.000826
   25.9011 3.441829   2  1  0    2   25.8915  3.443086   -0.0096 -0.001256
   26.8948 3.316702   1  0  2    2   26.8935  3.316855   -0.0013 -0.000154
   28.7985 3.101358   2  1  1    2   28.7903  3.102224   -0.0082 -0.000866
   31.5764 2.834251   1  1  2    2   31.5847  2.833526    0.0083  0.000725
   38.7621 2.323280   2  2  0    2   38.7675  2.322970    0.0054  0.000310
   40.8476 2.209241   2  2  1    2   40.8460  2.209324   -0.0016 -0.000082
   44.0227 2.056851   4  1  0    2   44.0307  2.056496    0.0080  0.000355
   47.0661 1.930596   3  2  1    2   47.0613  1.930783   -0.0048 -0.000187
   49.0611 1.856596   3  0  3    2   49.0576  1.856721   -0.0035 -0.000125
   51.0811 1.787765   0  0  4    2   51.0815  1.787750    0.0004  0.000015

 rmse = 0.00004946310
 
     A =     8.8823(9)         B =     5.4510(7)          C =     7.1510(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    346.23(4)