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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040142
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   30.1386 2.968267   1  1  1    2   30.1361  2.968513   -0.0025 -0.000246
   34.9232 2.571113   2  0  0    2   34.9275  2.570808    0.0043  0.000305
   50.2021 1.817712   2  2  0    2   50.1985  1.817835   -0.0036 -0.000124
   59.6443 1.550247   3  1  1    2   59.6439  1.550255   -0.0004 -0.000009
   62.5822 1.484278   2  2  2    2   62.5832  1.484256    0.0010  0.000022
   73.6887 1.285422   4  0  0    2   73.6899  1.285404    0.0012  0.000018
   81.5911 1.179632   3  3  1    2   81.5965  1.179567    0.0054  0.000065
   84.1945 1.149638   4  2  0    2   84.1889  1.149700   -0.0056 -0.000062

 rmse = 0.00004903934
 
     A =     5.14161(9)        B =     5.14161(9)         C =     5.14161(9)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    135.924(7)