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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050390
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.5361 3.489723   2  1  3    2   25.5317  3.490310   -0.0044 -0.000587
   33.0363 2.711804   2  2  4    2   33.0282  2.712450   -0.0081 -0.000647
   38.1985 2.356047   4  0  0    2   38.2095  2.355395    0.0110  0.000652
   38.5255 2.336781   0  0  8    2   38.5301  2.336514    0.0046  0.000267
   42.1863 2.141925   3  2  5    2   42.1900  2.141743    0.0037  0.000181
   48.5478 1.874889   4  3  1    2   48.5499  1.874814    0.0021  0.000075
   55.3851 1.658387   4  0  8    2   55.3701  1.658800   -0.0150 -0.000413
   65.7690 1.419325   6  2  4    2   65.7698  1.419310    0.0008  0.000015
   66.2006 1.411110   2  2 12    2   66.2053  1.411021    0.0047  0.000089

 rmse = 0.00008902360
 
     A =     9.4215(7)         B =     9.4215(7)          C =    18.692(2)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1659.2(2)