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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050361
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.6274 3.118755   1  1  0    2   28.6157  3.120003   -0.0117 -0.001248
   37.3752 2.405878   1  0  1    2   37.3654  2.406486   -0.0098 -0.000608
   42.7876 2.113031   1  1  1    2   42.7948  2.112694    0.0072  0.000337
   45.9686 1.973845   2  1  0    2   45.9829  1.973263    0.0143  0.000581
   56.5729 1.626248   2  1  1    2   56.5742  1.626214    0.0013  0.000034
   59.2137 1.559829   2  2  0    2   59.2065  1.560002   -0.0072 -0.000172

 rmse = 0.00011278520
 
     A =     4.4123(5)         B =     4.4123(5)          C =     2.8710(8)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     55.89(2)