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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050558
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.023
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1526 7.263195   1  1  0    2   12.1495  7.265035   -0.0031 -0.001840
   17.2301 5.135419   2  0  0    2   17.2242  5.137156   -0.0059 -0.001737
   24.4692 3.631492   2  2  0    2   24.4622  3.632518   -0.0070 -0.001026
   30.0801 2.966175   2  2  2    2   30.0826  2.965938    0.0025  0.000237
   32.5709 2.744966   3  2  1    2   32.5592  2.745925   -0.0117 -0.000960
   34.8825 2.568293   4  0  0    2   34.8785  2.568578   -0.0040 -0.000285
   37.0669 2.421895   4  1  1    2   37.0703  2.421678    0.0034  0.000217
   44.9265 2.014984   5  1  0    2   44.9271  2.014958    0.0006  0.000026
   48.4656 1.875859   5  2  1    2   48.4666  1.875824    0.0010  0.000035
   50.1680 1.816150   4  4  0    2   50.1648  1.816259   -0.0032 -0.000109
   51.8258 1.761910   4  3  3    2   51.8220  1.762030   -0.0038 -0.000119
   55.0158 1.667097   6  1  1    2   55.0296  1.666713    0.0138  0.000384
   59.6218 1.548884   6  2  2    2   59.6207  1.548911   -0.0011 -0.000026
   73.6729 1.284457   8  0  0    2   73.6842  1.284289    0.0113  0.000168
   77.6716 1.228034   6  5  3    2   77.6730  1.228015    0.0014  0.000019
   81.6144 1.178398   6  6  2    2   81.6021  1.178544   -0.0123 -0.000146

 rmse = 0.00008256578
 
     A =    10.2743(3)         B =    10.2743(3)          C =    10.2743(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1084.57(9)