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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050677
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.031
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.5813 3.774612   0  1  2    2   23.5883  3.773511    0.0070  0.001101
   30.3445 2.946097   1  0  4    2   30.3494  2.945630    0.0049  0.000467
   32.9187 2.721138   0  0  6    2   32.9209  2.720961    0.0022  0.000177
   36.5654 2.457457   1  1  0    2   36.5737  2.456919    0.0083  0.000538
   40.2747 2.239089   1  1  3    2   40.2712  2.239275   -0.0035 -0.000186
   43.9717 2.058890   2  0  2    2   43.9702  2.058956   -0.0015 -0.000065
   58.4666 1.578029   1  2  2    2   58.4642  1.578087   -0.0024 -0.000058
   60.7337 1.524406   1  0 10    2   60.7403  1.524257    0.0066  0.000150
   61.9907 1.496463   2  1  4    2   61.9925  1.496424    0.0018  0.000039
   63.1104 1.472568   2  0  8    2   63.0986  1.472815   -0.0118 -0.000247
   65.8192 1.418341   3  0  0    2   65.8108  1.418503   -0.0084 -0.000161
   80.6909 1.190200   1  1 12    2   80.6915  1.190193    0.0006  0.000007
   82.5269 1.168302   3  1  2    2   82.5427  1.168118    0.0158  0.000183
   85.6289 1.133723   1  3  4    2   85.6208  1.133810   -0.0081 -0.000087

 rmse = 0.00010099449
 
     A =     4.9138(2)         B =     4.9138(2)          C =    16.325(1)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    341.38(3)