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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050359
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.061
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.3149 3.666595   3  1  0    2   24.3227  3.665430    0.0078  0.001165
   30.0185 2.980237   3  1  1    2   30.0186  2.980225    0.0001  0.000011
   31.1928 2.870447   0  2  0    2   31.1946  2.870283    0.0018  0.000165
   35.0952 2.559136   0  0  2    2   35.0892  2.559557   -0.0060 -0.000421
   35.8886 2.504262   0  2  1    2   35.8985  2.503592    0.0099  0.000670
   37.8060 2.381339   6  0  0    2   37.8057  2.381355   -0.0003 -0.000016
   40.7483 2.215665   3  2  1    2   40.7406  2.216068   -0.0077 -0.000403
   43.1211 2.098908   3  1  2    2   43.1288  2.098549    0.0077  0.000359
   47.6164 1.910460   0  2  2    2   47.6199  1.910326    0.0035  0.000134
   49.7521 1.833235   6  2  0    2   49.7672  1.832715    0.0151  0.000520
   51.4870 1.775391   3  3  0    2   51.4813  1.775573   -0.0057 -0.000183
   52.5093 1.743166   6  0  2    2   52.4995  1.743470   -0.0098 -0.000304
   53.0997 1.725145   6  2  1    2   53.0890  1.725468   -0.0107 -0.000323
   85.1472 1.139222   9  1  3    2   85.1495  1.139197    0.0023  0.000025

 rmse = 0.00008952367
 
     A =    14.288(2)          B =     5.7405(7)          C =     5.1191(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    419.87(5)