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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040076
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.049
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.0279 2.884259   4  0  0    2   31.0225  2.884747   -0.0054 -0.000489
   34.7929 2.579845   4  2  0    2   34.7880  2.580196   -0.0049 -0.000351
   36.5398 2.460251   3  3  2    2   36.5418  2.460121    0.0020  0.000131
   38.2260 2.355376   4  2  2    2   38.2258  2.355386   -0.0002 -0.000010
   39.8504 2.262911   4  3  1    2   39.8491  2.262982   -0.0013 -0.000071
   42.9390 2.106834   5  2  1    2   42.9414  2.106721    0.0024  0.000113
   44.4127 2.040208   4  4  0    2   44.4215  2.039824    0.0088  0.000384
   48.6470 1.871881   6  1  1    2   48.6473  1.871871    0.0003  0.000009
   55.1420 1.665577   4  4  4    2   55.1444  1.665510    0.0024  0.000067
   57.5994 1.600162   6  4  0    2   57.5991  1.600170   -0.0003 -0.000008
   58.8056 1.570155   5  5  2    2   58.8014  1.570257   -0.0042 -0.000102
   59.9897 1.541936   6  4  2    2   59.9886  1.541962   -0.0011 -0.000026
   64.6074 1.442344   8  0  0    2   64.6059  1.442374   -0.0015 -0.000029
   73.3742 1.290028   8  4  0    2   73.3696  1.290098   -0.0046 -0.000070
   75.4815 1.259136   8  4  2    2   75.4906  1.259007    0.0091  0.000129
   77.5947 1.230016   6  6  4    2   77.5914  1.230060   -0.0033 -0.000045

 rmse = 0.00005164681
 
     A =    11.5389(2)         B =    11.5389(2)          C =    11.5389(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1536.39(8)