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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050658
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.8328 3.892985   0  1  2    2   22.8368  3.892307    0.0040  0.000678
   29.3880 3.037583   1  0  4    2   29.3888  3.037499    0.0008  0.000083
   31.8962 2.804144   0  0  6    2   31.8911  2.804581   -0.0051 -0.000437
   35.3915 2.534733   1  1  0    2   35.3910  2.534768   -0.0005 -0.000035
   38.9674 2.309914   1  1  3    2   38.9682  2.309866    0.0008  0.000048
   42.5349 2.124026   2  0  2    2   42.5340  2.124070   -0.0009 -0.000045
   46.6366 1.946287   0  2  4    2   46.6400  1.946154    0.0034  0.000134
   47.9216 1.897045   0  1  8    2   47.9240  1.896958    0.0024  0.000088
   48.3687 1.880546   1  1  6    2   48.3693  1.880525    0.0006  0.000021
   55.6157 1.651401   2  1  1    2   55.6163  1.651385    0.0006  0.000016
   56.4798 1.628164   1  2  2    2   56.4847  1.628034    0.0049  0.000130
   59.8738 1.543710   2  1  4    2   59.8765  1.543647    0.0027  0.000063
   61.5971 1.504584   1  1  9    2   61.5935  1.504663   -0.0036 -0.000079
   62.3511 1.488186   1  2  5    2   62.3450  1.488316   -0.0061 -0.000130
   63.5311 1.463354   3  0  0    2   63.5265  1.463449   -0.0046 -0.000095
   66.6447 1.402332   0  0 12    2   66.6470  1.402290    0.0023  0.000042
   68.6829 1.365598   2  1  7    2   68.6809  1.365633   -0.0020 -0.000035
   82.3855 1.169685   1  3  4    2   82.3883  1.169652    0.0028  0.000032

 rmse = 0.00003916872
 
     A =     5.06953(8)        B =     5.06953(8)         C =    16.8274(5)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    374.52(1)