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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060521
 
 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
   22.9828 3.877758   1  0  0    2   22.9802  3.878189   -0.0026 -0.000431
   32.6960 2.742163   1  1  0    2   32.6944  2.742294   -0.0016 -0.000131
   40.3111 2.239096   1  1  1    2   40.3115  2.239073    0.0004  0.000022
   46.8803 1.939044   2  0  0    2   46.8790  1.939094   -0.0013 -0.000051
   52.8019 1.734399   2  1  0    2   52.8026  1.734379    0.0007  0.000020
   58.2913 1.583265   2  1  1    2   58.2913  1.583264    0.0000  0.000001
   68.4222 1.371207   2  2  0    2   68.4256  1.371147    0.0034  0.000060
   73.2121 1.292777   2  2  1    2   73.2152  1.292730    0.0031  0.000047
   77.8876 1.226372   3  1  0    2   77.8862  1.226391   -0.0014 -0.000019
   82.4832 1.169235   3  1  1    2   82.4761  1.169318   -0.0071 -0.000083
   87.0139 1.119573   2  2  2    2   87.0174  1.119537    0.0035  0.000036

 rmse = 0.00004306176
 
     A =     3.87818(5)        B =     3.87818(5)         C =     3.87818(5)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     58.329(2)