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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060074
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.081
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.8160 4.996952   1  0  1    2   17.8253  4.994365    0.0093  0.002587
   19.0472 4.675258   1  0  2    2   19.0453  4.675733   -0.0019 -0.000475
   23.2130 3.841862   0  0  6    2   23.2218  3.840427    0.0088  0.001434
   30.3147 2.953660   1  1  0    2   30.3141  2.953713   -0.0006 -0.000053
   31.1085 2.879880   0  0  8    2   31.1036  2.880320   -0.0049 -0.000441
   32.3951 2.768093   1  0  7    2   32.3931  2.768261   -0.0020 -0.000168
   34.1510 2.629340   1  1  4    2   34.1642  2.628351    0.0132  0.000989
   37.1037 2.426138   2  0  3    2   37.0910  2.426940   -0.0127 -0.000803
   40.3753 2.236377   2  0  5    2   40.3719  2.236558   -0.0034 -0.000182
   55.1097 1.667380   2  1  7    2   55.1132  1.667282    0.0035  0.000098
   56.8367 1.620674   2  0 11    2   56.8362  1.620686   -0.0005 -0.000012
   62.9561 1.476853   2  2  0    2   62.9559  1.476856   -0.0002 -0.000003

 rmse = 0.00005774202
 
     A =     5.9074(3)         B =     5.9074(3)          C =    23.042(2)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    696.39(8)