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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060185
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.5447 3.950061   1  1  0    2   22.5484  3.949425    0.0037  0.000636
   29.9973 2.981711   0  2  0    2   29.9875  2.982668   -0.0098 -0.000958
   34.5730 2.596212   1  2  0    2   34.5795  2.595735    0.0065  0.000477
   35.3270 2.542422   1  0  1    2   35.3325  2.542036    0.0055  0.000386
   37.3294 2.410313   2  1  0    2   37.3306  2.410239    0.0012  0.000074
   38.5141 2.338747   1  1  1    2   38.5173  2.338558    0.0032  0.000189
   45.9752 1.974611   2  2  0    2   45.9727  1.974713   -0.0025 -0.000102
   46.9814 1.934590   1  2  1    2   46.9783  1.934709   -0.0031 -0.000119
   49.1383 1.854503   2  1  1    2   49.1487  1.854136    0.0104  0.000367
   54.4649 1.684863   3  1  0    2   54.4582  1.685054   -0.0067 -0.000191
   56.0839 1.639954   0  3  1    2   56.0702  1.640322   -0.0137 -0.000368
   56.3565 1.632659   2  2  1    2   56.3592  1.632587    0.0027  0.000072
   58.9633 1.566474   1  3  1    2   58.9745  1.566202    0.0112  0.000272
   72.8664 1.297859   2  4  0    2   72.8659  1.297867   -0.0005 -0.000008
   74.9811 1.266385   1  2  2    2   74.9699  1.266547   -0.0112 -0.000162
   84.6809 1.144239   1  3  2    2   84.6889  1.144151    0.0080  0.000088

 rmse = 0.00009665181
 
     A =5.2698(6)              B =5.9653(5)               C =2.9020(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 91.23(1)