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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050479
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.2886 5.819187   1  1  1    2   15.2997  5.814983    0.0111  0.004205
   17.6580 5.039972   2  0  0    2   17.6722  5.035923    0.0142  0.004049
   25.0569 3.561489   2  2  0    2   25.0608  3.560935    0.0039  0.000554
   29.4595 3.037118   3  1  1    2   29.4629  3.036776    0.0034  0.000342
   30.7982 2.907761   2  2  2    2   30.8011  2.907491    0.0029  0.000270
   35.6985 2.518197   4  0  0    2   35.7019  2.517961    0.0034  0.000236
   40.0766 2.252095   4  2  0    2   40.0759  2.252133   -0.0007 -0.000038
   44.0893 2.055630   4  2  2    2   44.0831  2.055907   -0.0062 -0.000277
   46.9062 1.938334   3  3  3    2   46.9064  1.938328    0.0002  0.000007
   51.3489 1.780326   4  4  0    2   51.3445  1.780468   -0.0044 -0.000141
   54.7074 1.678551   6  0  0    2   54.7042  1.678641   -0.0032 -0.000090
   61.0523 1.518204   6  2  2    2   61.0441  1.518388   -0.0082 -0.000184
   64.0702 1.453691   4  4  4    2   64.0675  1.453746   -0.0027 -0.000055
   66.2827 1.410373   5  5  1    2   66.2844  1.410340    0.0017  0.000032
   69.8955 1.345966   6  4  2    2   69.8990  1.345907    0.0035  0.000059
   72.0205 1.311348   7  3  1    2   72.0272  1.311243    0.0067  0.000105
   80.9915 1.187075   6  6  0    2   80.9994  1.186978    0.0079  0.000096
   83.7125 1.155238   6  6  2    2   83.7052  1.155320   -0.0073 -0.000082
   86.3949 1.126086   8  4  0    2   86.3968  1.126067    0.0019  0.000020
   88.4118 1.105509   7  5  3    2   88.4098  1.105529   -0.0020 -0.000020

 rmse = 0.00005924379
 
     A =    10.0718(1)         B =    10.0718(1)          C =    10.0718(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1021.70(4)