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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050374
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.068
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   29.6120 3.021050   1  1  0    2   29.6229  3.019957    0.0109  0.001093
   36.4832 2.465223   1  1  1    2   36.4746  2.465784   -0.0086 -0.000562
   42.3511 2.135687   2  0  0    2   42.3564  2.135432    0.0053  0.000255
   61.4173 1.509879   2  2  0    2   61.4128  1.509978   -0.0045 -0.000099
   73.5525 1.287633   3  1  1    2   73.5471  1.287714   -0.0054 -0.000081
   77.3930 1.232982   2  2  2    2   77.3997  1.232892    0.0067  0.000090

 rmse = 0.00008105638
 
     A =     4.2708(2)         B =     4.2708(2)          C =     4.2708(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     77.901(9)