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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050410
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.017
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.8625 5.258777   0  1  1    2   16.8674  5.257251    0.0049  0.001527
   21.4884 4.135108   1  0  2    2   21.4786  4.136970   -0.0098 -0.001862
   25.1871 3.535214   1  1  0    2   25.1790  3.536327   -0.0081 -0.001113
   25.6429 3.473358   1  1  1    2   25.6435  3.473279    0.0006  0.000079
   26.9964 3.302100   1  1  2    2   26.9921  3.302621   -0.0043 -0.000521
   27.2746 3.269026   1  0  4    2   27.2756  3.268906    0.0010  0.000120
   28.9828 3.080008   0  0  6    2   28.9891  3.079356    0.0063  0.000652
   31.8574 2.808193   1  1  4    2   31.8608  2.807899    0.0034  0.000294
   34.0901 2.629114   0  2  2    2   34.0966  2.628625    0.0065  0.000489
   37.8049 2.378754   0  1  7    2   37.8122  2.378311    0.0073  0.000443
   40.9615 2.202356   1  2  3    2   40.9526  2.202814   -0.0089 -0.000458
   53.3709 1.715704   1  0 10    2   53.3655  1.715865   -0.0054 -0.000161
   55.3683 1.658425   2  1  7    2   55.3728  1.658301    0.0045  0.000124
   63.6588 1.460898   1  0 12    2   63.6581  1.460913   -0.0007 -0.000015
   66.5657 1.403962   2  2  8    2   66.5664  1.403949    0.0007  0.000012

 rmse = 0.00005094281
 
     A =     4.6268(6)         B =     5.4839(7)          C =    18.4761(10)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    468.80(5)