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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060449
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.075
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.8742 4.267278   2  2  0    2   20.8830  4.265487    0.0088  0.001791
   29.6659 3.016386   4  0  0    2   29.6682  3.016155    0.0023  0.000231
   33.2527 2.698022   4  2  0    2   33.2564  2.697731    0.0037  0.000291
   34.9275 2.572109   3  3  2    2   34.9264  2.572186   -0.0011 -0.000077
   36.5271 2.462823   4  2  2    2   36.5293  2.462680    0.0022  0.000143
   38.0754 2.365960   4  3  1    2   38.0736  2.366067   -0.0018 -0.000107
   41.0153 2.202590   5  2  1    2   41.0134  2.202688   -0.0019 -0.000098
   46.4302 1.957118   6  1  1    2   46.4297  1.957140   -0.0005 -0.000022
   47.7131 1.907362   6  2  0    2   47.7072  1.907584   -0.0059 -0.000222
   54.9009 1.673079   6  4  0    2   54.9015  1.673062    0.0006  0.000017
   57.1598 1.612121   6  4  2    2   57.1567  1.612203   -0.0031 -0.000081
   61.5085 1.508015   8  0  0    2   61.5057  1.508078   -0.0028 -0.000062
   69.7222 1.348888   8  4  0    2   69.7235  1.348866    0.0013  0.000023
   71.6982 1.316452   8  4  2    2   71.7041  1.316358    0.0059  0.000094
   73.6610 1.286110   6  6  4    2   73.6622  1.286093    0.0012  0.000018
   86.9569 1.120239  10  4  0    2   86.9634  1.120172    0.0065  0.000067
   88.8416 1.101263  10  4  2    2   88.8333  1.101344   -0.0083 -0.000081

 rmse = 0.00005168244
 
     A =    12.0646(2)         B =    12.0646(2)          C =    12.0646(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1756.06(8)