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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040094
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.9831 6.348837   2  1  0    2   13.9813  6.349652   -0.0018 -0.000815
   20.1044 4.423043   0  2  0    2   20.1116  4.421482    0.0072  0.001560
   31.1144 2.876165   6  1  0    2   31.1191  2.875743    0.0047  0.000423
   31.6453 2.829044   5  1  1    2   31.6525  2.828415    0.0072  0.000628
   33.0983 2.707922   4  2  1    2   33.0932  2.708326   -0.0051 -0.000405
   35.3773 2.538298   1  3  1    2   35.3783  2.538225    0.0010  0.000072
   36.0002 2.495738   2  0  2    2   35.9946  2.496113   -0.0056 -0.000375
   43.1389 2.097389   5  3  1    2   43.1372  2.097467   -0.0017 -0.000078
   45.7079 1.985183   2  4  1    2   45.7078  1.985188   -0.0001 -0.000006
   46.3362 1.959690   6  3  1    2   46.3320  1.959858   -0.0042 -0.000168
   51.1134 1.787014  10  1  0    2   51.1145  1.786980    0.0011  0.000035
   57.1659 1.611198   0  2  3    2   57.1681  1.611141    0.0022  0.000057
   57.9967 1.590061   9  3  1    2   57.9957  1.590085   -0.0010 -0.000024
   63.0639 1.473846   0  6  0    2   63.0648  1.473827    0.0009  0.000019

 rmse = 0.00003464509
 
     A =    18.2462(8)         B =     8.8429(3)          C =     5.1902(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    837.45(5)