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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050394
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.011
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.8274 3.894336   0  1  2    2   22.8303  3.893850    0.0029  0.000486
   29.3775 3.038910   1  0  4    2   29.3796  3.038698    0.0021  0.000212
   35.3769 2.535928   1  1  0    2   35.3791  2.535776    0.0022  0.000152
   38.9476 2.311193   1  1  3    2   38.9548  2.310783    0.0072  0.000410
   42.5187 2.124923   2  0  2    2   42.5189  2.124914    0.0002  0.000008
   46.6298 1.946659   0  2  4    2   46.6230  1.946925   -0.0068 -0.000266
   47.9174 1.897300   0  1  8    2   47.9066  1.897703   -0.0108 -0.000403
   48.3514 1.881275   1  1  6    2   48.3516  1.881268    0.0002  0.000007
   55.5994 1.651918   2  1  1    2   55.5949  1.652042   -0.0045 -0.000124
   56.4565 1.628851   1  2  2    2   56.4629  1.628681    0.0064  0.000169
   59.8419 1.544518   2  1  4    2   59.8529  1.544260    0.0110  0.000258
   63.5097 1.463850   3  0  0    2   63.5009  1.464031   -0.0088 -0.000181
   66.6174 1.402890   0  0 12    2   66.6201  1.402840    0.0027  0.000050

 rmse = 0.00007857690
 
     A =5.0716(2)              B =5.0716(2)               C =16.834(1)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 374.97(4)