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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060354
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.1380 6.282381   1  1  0    2   14.1431  6.280127    0.0051  0.002254
   20.0250 4.441921   2  0  0    2   20.0305  4.440721    0.0055  0.001201
   22.4108 3.973035   2  1  0    2   22.4173  3.971901    0.0065  0.001134
   24.5805 3.626280   2  1  1    2   24.5836  3.625833    0.0031  0.000447
   31.8885 2.808567   3  1  0    2   31.8886  2.808558    0.0001  0.000009
   35.0198 2.563899   2  2  2    2   35.0205  2.563851    0.0007  0.000047
   37.9238 2.373704   3  2  1    2   37.9245  2.373665    0.0007  0.000039
   40.6440 2.220688   4  0  0    2   40.6503  2.220360    0.0063  0.000328
   43.2311 2.093435   4  1  1    2   43.2324  2.093376    0.0013  0.000059
   45.6978 1.985875   4  2  0    2   45.6960  1.985951   -0.0018 -0.000075
   48.0632 1.893411   3  3  2    2   48.0600  1.893530   -0.0032 -0.000118
   50.3393 1.812916   4  2  2    2   50.3393  1.812917    0.0000 -0.000001
   52.5460 1.741781   4  3  1    2   52.5456  1.741794   -0.0004 -0.000013
   56.7767 1.621501   5  2  1    2   56.7759  1.621522   -0.0008 -0.000021
   58.8141 1.570042   4  4  0    2   58.8145  1.570032    0.0004  0.000010
   60.8113 1.523127   5  3  0    2   60.8101  1.523155   -0.0012 -0.000028
   62.7673 1.480243   4  4  2    2   62.7674  1.480240    0.0001  0.000003
   64.6911 1.440755   5  3  2    2   64.6909  1.440760   -0.0002 -0.000005
   68.4540 1.370377   5  4  1    2   68.4507  1.370436   -0.0033 -0.000059
   70.2966 1.338874   6  2  2    2   70.2934  1.338928   -0.0032 -0.000053
   72.1182 1.309447   6  3  1    2   72.1150  1.309497   -0.0032 -0.000050
   73.9188 1.281916   4  4  4    2   73.9181  1.281926   -0.0007 -0.000010
   79.2362 1.208636   7  2  1    2   79.2382  1.208611    0.0020  0.000025
   82.7281 1.166214   7  3  0    2   82.7302  1.166190    0.0021  0.000024
   86.1939 1.127955   6  5  1    2   86.1950  1.127944    0.0011  0.000011
   89.6433 1.093253   7  4  1    2   89.6457  1.093230    0.0024  0.000023

 rmse = 0.00002673285
 
     A =     8.88144(5)        B =     8.88144(5)         C =     8.88144(5)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    700.56(1)