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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050564
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.005
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.4598 4.338329   1  1  0    2   20.4578  4.338746   -0.0020 -0.000417
   25.3428 3.512233   1  1  1    2   25.3379  3.512907   -0.0049 -0.000674
   26.0478 3.418730   0  2  1    2   26.0483  3.418665    0.0005  0.000065
   29.8416 2.992096   0  0  2    2   29.8348  2.992764   -0.0068 -0.000668
   31.7427 2.817069   0  1  2    2   31.7494  2.816490    0.0067  0.000579
   34.7723 2.578212   1  0  2    2   34.7625  2.578914   -0.0098 -0.000702
   35.2987 2.540954   2  0  0    2   35.2930  2.541350   -0.0057 -0.000396
   39.9970 2.252602   2  1  1    2   40.0061  2.252112    0.0091  0.000490
   41.6108 2.168880   2  2  0    2   41.6009  2.169373   -0.0099 -0.000493
   44.3877 2.039408   2  2  1    2   44.3845  2.039548   -0.0032 -0.000139
   46.1104 1.967136   0  4  1    2   46.1192  1.966782    0.0088  0.000354
   46.8568 1.937521   2  0  2    2   46.8662  1.937153    0.0094  0.000369
   48.1324 1.889104   1  3  2    2   48.1196  1.889578   -0.0128 -0.000473
   52.0188 1.756720   2  2  2    2   52.0273  1.756453    0.0085  0.000267
   55.2865 1.660362   3  1  0    2   55.2909  1.660239    0.0044  0.000123
   59.3722 1.555471   2  4  1    2   59.3755  1.555393    0.0033  0.000078
   60.4456 1.530389   1  5  1    2   60.4433  1.530442   -0.0023 -0.000052
   80.5979 1.191021   4  2  1    2   80.5945  1.191062   -0.0034 -0.000042

 rmse = 0.00007715178
 
     A =     5.0827(3)         B =     8.3296(7)          C =     5.9855(9)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    253.41(4)