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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040061
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.9842 3.874146   1  1  1    2   22.9732  3.875976   -0.0110 -0.001829
   28.6474 3.118577   0  0  2    2   28.6418  3.119176   -0.0056 -0.000599
   31.4202 2.848983   1  0  2    2   31.4199  2.849012   -0.0003 -0.000029
   32.0129 2.797497   2  1  1    2   32.0176  2.797093    0.0047  0.000403
   36.3335 2.473693   2  2  0    2   36.3394  2.473306    0.0059  0.000387
   38.7013 2.327436   0  2  2    2   38.6991  2.327564   -0.0022 -0.000128
   40.8726 2.208522   1  2  2    2   40.8708  2.208617   -0.0018 -0.000095
   41.3771 2.182721   0  3  1    2   41.3622  2.183474   -0.0149 -0.000753
   43.4006 2.085415   3  1  1    2   43.3970  2.085581   -0.0036 -0.000166
   45.5144 1.993254   0  1  3    2   45.5160  1.993188    0.0016  0.000066
   46.8831 1.938143   2  2  2    2   46.8871  1.937988    0.0040  0.000155
   48.7487 1.868170   3  0  2    2   48.7498  1.868131    0.0011  0.000039
   55.7822 1.647922   3  2  2    2   55.7909  1.647685    0.0087  0.000238
   57.8327 1.594228   3  3  1    2   57.8367  1.594127    0.0040  0.000100
   61.1611 1.515133   1  3  3    2   61.1707  1.514919    0.0096  0.000214
   62.3073 1.489964   1  4  2    2   62.3041  1.490034   -0.0032 -0.000070
   71.4995 1.319179   2  2  4    2   71.4972  1.319216   -0.0023 -0.000037
   72.9511 1.296451   3  0  4    2   72.9460  1.296529   -0.0051 -0.000078
   78.6837 1.215674   3  2  4    2   78.6863  1.215640    0.0026  0.000034
   79.9584 1.199457   5  2  2    2   79.9549  1.199501   -0.0035 -0.000044

 rmse = 0.00006668677
 
     A =     6.9984(4)         B =     6.9927(5)          C =     6.2383(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    305.29(2)