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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061081
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.014
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.8056 7.499115   1  1  0    2   11.8086  7.497197    0.0030  0.001919
   16.7175 5.303266   2  0  0    2   16.7237  5.301319    0.0062  0.001947
   20.5135 4.328980   2  1  1    2   20.5158  4.328508    0.0023  0.000471
   23.7309 3.748486   2  2  0    2   23.7302  3.748598   -0.0007 -0.000112
   29.1665 3.060740   2  2  2    2   29.1667  3.060718    0.0002  0.000023
   31.5586 2.833877   3  2  1    2   31.5609  2.833674    0.0023  0.000203
   33.8014 2.650714   4  0  0    2   33.8021  2.650659    0.0007  0.000055
   35.9171 2.499213   4  1  1    2   35.9193  2.499066    0.0022  0.000147
   37.9318 2.370923   4  2  0    2   37.9335  2.370822    0.0017  0.000101
   39.8602 2.260510   3  3  2    2   39.8606  2.260490    0.0004  0.000020
   43.5034 2.079209   4  3  1    2   43.5003  2.079348   -0.0031 -0.000140
   46.9097 1.935812   5  2  1    2   46.9108  1.935768    0.0011  0.000044
   48.5448 1.874342   4  4  0    2   48.5460  1.874299    0.0012  0.000043
   50.1453 1.818187   4  3  3    2   50.1409  1.818337   -0.0044 -0.000150
   53.2217 1.720083   6  1  1    2   53.2253  1.719975    0.0036  0.000108
   57.6335 1.598426   6  2  2    2   57.6342  1.598408    0.0007  0.000018
   60.4531 1.530425   4  4  4    2   60.4560  1.530359    0.0029  0.000066
   61.8482 1.499201   5  4  3    2   61.8373  1.499439   -0.0109 -0.000239
   69.8063 1.346438   7  3  2    2   69.8005  1.346536   -0.0058 -0.000098
   71.0847 1.325323   8  0  0    2   71.0843  1.325330   -0.0004 -0.000006
   72.3570 1.305115   8  1  1    2   72.3583  1.305094    0.0013  0.000021
   74.8729 1.267365   6  5  3    2   74.8804  1.267258    0.0075  0.000108
   77.3736 1.232519   8  3  1    2   77.3727  1.232532   -0.0009 -0.000013
   78.6081 1.216223   6  6  2    2   78.6095  1.216206    0.0014  0.000018

 rmse = 0.00004546935
 
     A =10.6026(1)             B =10.6026(1)              C =10.6026(1)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1191.91(4)