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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050353
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   63.5243 1.464879   6 12  2    2   63.5255  1.464854    0.0012  0.000024
   56.5127 1.629068   5  2  5    2   56.5155  1.628995    0.0028  0.000073
   42.3206 2.137518   2  9  2    2   42.3136  2.137857   -0.0070 -0.000340
   38.4524 2.343597   6  0  2    2   38.4450  2.344035   -0.0074 -0.000438
   37.6351 2.392695   0  0  4    2   37.6321  2.392876   -0.0030 -0.000182
   30.5592 2.930024   3  6  1    2   30.5626  2.929709    0.0034  0.000315
   30.0839 2.975342   4  2  2    2   30.0940  2.974359    0.0101  0.000983
   29.4590 3.037181   2  5  2    2   29.4501  3.038086   -0.0089 -0.000905
   26.8846 3.322704   2  4  2    2   26.8868  3.322441    0.0022  0.000263
   24.7222 3.609109   2  3  2    2   24.7243  3.608810    0.0021  0.000299
   23.7513 3.754870   0  6  0    2   23.7648  3.752757    0.0135  0.002113
   18.6085 4.783607   0  0  2    2   18.6001  4.785752   -0.0084 -0.002146
   16.0300 5.550445   1  3  1    2   16.0424  5.546165    0.0124  0.004280

 rmse = 0.00005720150
 
     A =16.132(3)              B =22.517(2)               C =9.572(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 3476.7(0)