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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050606
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.7734 6.448370   1  1  0    2   13.7731  6.448518   -0.0003 -0.000148
   21.8249 4.078561   2  1  0    2   21.8258  4.078401    0.0009  0.000160
   23.9343 3.722879   2  1  1    2   23.9332  3.723053   -0.0011 -0.000175
   27.6929 3.224581   2  2  0    2   27.6957  3.224259    0.0028  0.000322
   31.0384 2.883632   3  1  0    2   31.0358  2.883865   -0.0026 -0.000233
   34.0817 2.632383   2  2  2    2   34.0789  2.632596   -0.0028 -0.000213
   36.9027 2.437084   3  2  1    2   36.8992  2.437311   -0.0035 -0.000227
   39.5483 2.279719   4  0  0    2   39.5451  2.279895   -0.0032 -0.000176
   42.0522 2.149417   3  3  0    2   42.0504  2.149506   -0.0018 -0.000089
   46.7255 1.944504   3  3  2    2   46.7307  1.944301    0.0052  0.000203
   48.9377 1.861556   4  2  2    2   48.9385  1.861527    0.0008  0.000030
   51.0774 1.788402   4  3  1    2   51.0745  1.788497   -0.0029 -0.000095
   55.1595 1.665190   5  2  1    2   55.1663  1.665000    0.0068  0.000190
   57.1345 1.612177   4  4  0    2   57.1363  1.612129    0.0018  0.000048
   59.0615 1.564042   4  3  3    2   59.0634  1.563995    0.0019  0.000047
   60.9542 1.519889   4  4  2    2   60.9524  1.519930   -0.0018 -0.000041
   62.8081 1.479373   5  3  2    2   62.8072  1.479391   -0.0009 -0.000018
   68.2049 1.374773   6  2  2    2   68.2018  1.374829   -0.0031 -0.000055
   69.9479 1.344693   6  3  1    2   69.9529  1.344609    0.0050  0.000085
   71.6864 1.316271   4  4  4    2   71.6847  1.316298   -0.0017 -0.000027
   73.3985 1.289715   5  4  3    2   73.3993  1.289704    0.0008  0.000012
   76.7896 1.240949   7  2  1    2   76.7846  1.241018   -0.0050 -0.000068
   80.1217 1.197480   7  3  0    2   80.1233  1.197460    0.0016  0.000020

 rmse = 0.00003651985
 
     A =     9.11958(9)        B =     9.11958(9)         C =     9.11958(9)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    758.44(2)