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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050066
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.070
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7231 5.656683   2  0  0    2   15.7253  5.655904    0.0022  0.000779
   17.6055 5.053449   2  0  1    2   17.6134  5.051202    0.0079  0.002248
   22.3570 3.985638   2  0  2    2   22.3642  3.984373    0.0072  0.001265
   24.9578 3.574708   3  0  1    2   24.9598  3.574420    0.0020  0.000288
   28.5616 3.130212   3  0  2    2   28.5627  3.130096    0.0011  0.000116
   32.4299 2.764309   2  1  2    2   32.4379  2.763641    0.0080  0.000667
   33.4961 2.678531   0  1  3    2   33.4899  2.679010   -0.0062 -0.000480
   35.5853 2.525605   4  0  2    2   35.5854  2.525601    0.0001  0.000004
   37.1058 2.425332   3  1  2    2   37.1060  2.425322    0.0002  0.000010
   39.6276 2.276331   4  1  0    2   39.6268  2.276375   -0.0008 -0.000044
   40.4754 2.230502   4  1  1    2   40.4663  2.230983   -0.0091 -0.000481
   48.3004 1.885310   6  0  0    2   48.3006  1.885301    0.0002  0.000008
   49.0171 1.859367   6  0  1    2   49.0198  1.859272    0.0027  0.000095
   59.9602 1.543131   2  0  7    2   59.9614  1.543104    0.0012  0.000027
   62.6353 1.483427   7  0  3    2   62.6280  1.483583   -0.0073 -0.000156
   73.3148 1.291256   8  1  2    2   73.3204  1.291170    0.0056  0.000086
   84.4358 1.147109   9  0  4    2   84.4350  1.147118   -0.0008 -0.000008

 rmse = 0.00004918208
 
     A =    11.3118(3)         B =     3.8365(6)          C =    11.2276(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    487.26(8)