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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050254
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.010
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.6649 9.153432   0  2  0    2    9.6650  9.153305    0.0001  0.000127
   16.7227 5.300357   2  0  0    2   16.7437  5.293748    0.0210  0.006608
   17.4169 5.090503   2  1  0    2   17.4345  5.085396    0.0176  0.005107
   18.2893 4.849467   0  1  1    2   18.2801  4.851885   -0.0092 -0.002418
   20.1298 4.409806   1  1  1    2   20.1253  4.410791   -0.0045 -0.000986
   21.8334 4.069254   1  2  1    2   21.8263  4.070555   -0.0071 -0.001301
   22.2076 4.001494   2  3  0    2   22.2230  3.998750    0.0154  0.002744
   22.9103 3.880270   0  3  1    2   22.8988  3.882196   -0.0115 -0.001926
   25.7157 3.462795   2  4  0    2   25.7204  3.462169    0.0047  0.000626
   26.2869 3.388802   2  2  1    2   26.2926  3.388076    0.0057  0.000726
   28.4820 3.132326   2  3  1    2   28.4981  3.130590    0.0161  0.001736
   29.6467 3.011823   2  5  0    2   29.6523  3.011263    0.0056  0.000560
   30.1872 2.959098   0  5  1    2   30.1722  2.960537   -0.0150 -0.001439
   34.3024 2.612823   3  3  1    2   34.3216  2.611406    0.0192  0.001417
   37.0492 2.425119   0  2  2    2   37.0362  2.425943   -0.0130 -0.000824
   54.0721 1.694898   6  3  0    2   54.0640  1.695132   -0.0081 -0.000234
   57.7615 1.595085   5  2  2    2   57.7540  1.595274   -0.0075 -0.000189
   69.1881 1.356884   3  6  3    2   69.1900  1.356852    0.0019  0.000032
   77.5001 1.230769   2 14  1    2   77.4908  1.230893   -0.0093 -0.000124
   82.3402 1.170233   4 12  2    2   82.3524  1.170091    0.0122  0.000142

 rmse = 0.00009848284
 
     A =10.588(1)              B =18.307(1)               C =5.0318(6)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 975.3(0)