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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050557
 
 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
   13.1584 6.751159   0  0  2    2   13.1646  6.747981    0.0062  0.003178
   16.7124 5.317847   1  1  1    2   16.7084  5.319104   -0.0040 -0.001257
   17.0029 5.227342   0  2  0    2   17.0141  5.223929    0.0112  0.003413
   18.2521 4.871203   0  2  1    2   18.2502  4.871708   -0.0019 -0.000504
   20.2401 4.395699   1  1  2    2   20.2522  4.393097    0.0121  0.002602
   21.5315 4.134205   0  2  2    2   21.5495  4.130778    0.0180  0.003428
   25.1079 3.551535   1  1  3    2   25.1056  3.551852   -0.0023 -0.000317
   25.6634 3.475739   2  0  0    2   25.6629  3.475804   -0.0005 -0.000065
   26.1829 3.407796   0  2  3    2   26.1747  3.408852   -0.0082 -0.001056
   34.3459 2.612938   0  4  0    2   34.3591  2.611964    0.0132  0.000974
   37.5341 2.397662   0  2  5    2   37.5286  2.398002   -0.0055 -0.000340
   43.8617 2.064882   0  4  4    2   43.8504  2.065389   -0.0113 -0.000506
   45.4950 1.994386   2  4  2    2   45.4856  1.994776   -0.0094 -0.000391
   60.4907 1.530503   2  4  6    2   60.4980  1.530335    0.0073  0.000168

 rmse = 0.00007712284
 
     A =     6.951(2)          B =    10.447(2)           C =    13.495(3)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    980.2(3)