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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050654
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.084
  
 Number of iterations =  17

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.7782 3.751994   1  1  1    2   23.7786  3.751933    0.0004  0.000061
   28.8457 3.101412   1  1  0    2   28.8463  3.101352    0.0006  0.000060
   42.1654 2.145453   0 -1  1    2   42.1588  2.145777   -0.0066 -0.000324
   47.2440 1.925569   2  2  1    2   47.2461  1.925490    0.0021  0.000079
   51.8418 1.764801   2  0  0    2   51.8484  1.764590    0.0066  0.000211
   59.6665 1.550360   2  2  0    2   59.6531  1.550676   -0.0134 -0.000316
   66.1803 1.412473   3  2  1    2   66.1880  1.412327    0.0077  0.000146
   68.9026 1.363089   2 -1  1    2   68.9120  1.362926    0.0094  0.000163
   75.6867 1.256731   3  1  0    2   75.6792  1.256837   -0.0075 -0.000106

 rmse = 0.00010569078
 
     A =     4.4962(4)         B =     4.4962(4)          C =     4.4962(4)      
 Alpha =    57.010(7)       Beta =    57.010(7)       Gamma =    57.010(7)       
 
 Volume =     59.84(1)