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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040153
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.002
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.6582 3.112171   1  1  0    2   28.6342  3.114721   -0.0240 -0.002549
   37.3578 2.405034   1  0  1    2   37.3558  2.405159   -0.0020 -0.000125
   40.9416 2.202412   2  0  0    2   40.9410  2.202440   -0.0006 -0.000028
   42.7704 2.112381   1  1  1    2   42.8003  2.110975    0.0299  0.001406
   56.6384 1.623706   2  1  1    2   56.6155  1.624308   -0.0229 -0.000601
   59.2742 1.557640   2  2  0    2   59.2859  1.557360    0.0117  0.000279

 rmse = 0.00023386641
 
     A =     4.404(1)          B =     4.404(1)           C =     2.870(2)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     55.70(3)