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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R090057
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.070
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.0967 4.221627   2  0  4    2   21.1085  4.219281    0.0118  0.002346
   24.2284 3.680982   2  1  5    2   24.2138  3.683178   -0.0146 -0.002196
   27.1806 3.286464   1  1 10    2   27.1639  3.288458   -0.0167 -0.001994
   30.3844 2.946027   3  1  2    2   30.3866  2.945816    0.0022  0.000210
   32.9335 2.723100   2  2  8    2   32.9189  2.724277   -0.0146 -0.001177
   38.2029 2.358046   4  0  0    2   38.2089  2.357686    0.0060  0.000360
   43.4932 2.082228   3  2 11    2   43.5136  2.081300    0.0204  0.000928
   65.6717 1.421924   6  2  8    2   65.6676  1.422002   -0.0041 -0.000078
   68.9441 1.362131   4  4 16    2   68.9436  1.362139   -0.0005 -0.000008

 rmse = 0.00011113185
 
     A =9.431(1)               B =9.431(1)                C =37.80(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 3361.9(8)