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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050366
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.1554 5.175996   0  2  0    2   17.1512  5.177248   -0.0042 -0.001251
   20.7834 4.278249   1  1  0    2   20.7828  4.278378   -0.0006 -0.000129
   22.6781 3.924306   0  2  1    2   22.6689  3.925876   -0.0092 -0.001571
   24.0296 3.706207   1  0  1    2   24.0425  3.704246    0.0129  0.001962
   25.5621 3.487044   1  1  1    2   25.5566  3.487780   -0.0055 -0.000736
   29.6774 3.011573   0  0  2    2   29.6827  3.011045    0.0053  0.000528
   32.1956 2.781254   1  3  0    2   32.1919  2.781565   -0.0037 -0.000311
   35.5561 2.525427   1  3  1    2   35.5593  2.525207    0.0032  0.000220
   36.5012 2.462108   1  1  2    2   36.4973  2.462362   -0.0039 -0.000254
   37.8323 2.378395   0  4  1    2   37.8353  2.378214    0.0030  0.000181
   52.4636 1.743893   2  2  2    2   52.4637  1.743890    0.0001  0.000003
   56.5257 1.627741   1  3  3    2   56.5251  1.627757   -0.0006 -0.000016

 rmse = 0.00004110115
 
     A =     4.6981(6)         B =    10.354(1)           C =     6.0220(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    292.95(3)