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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050181
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.9901 3.712561   0  1  2    2   23.9922  3.712243    0.0021  0.000317
   30.8099 2.903467   1  0  4    2   30.8053  2.903893   -0.0046 -0.000426
   37.2601 2.413768   1  1  0    2   37.2642  2.413513    0.0041  0.000255
   40.9874 2.202240   2 -1  3    2   40.9872  2.202251   -0.0002 -0.000012
   44.7925 2.023427   2  0  2    2   44.7918  2.023457   -0.0007 -0.000030
   50.1851 1.817730   0  1  8    2   50.1875  1.817649    0.0024  0.000081
   50.8130 1.796713   2 -1  6    2   50.8102  1.796807   -0.0028 -0.000094
   67.1578 1.393445   3  0  0    2   67.1580  1.393443    0.0002  0.000003

 rmse = 0.00002739572
 
     A =     4.8270(1)         B =     4.8270(1)          C =    16.1475(8)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    325.83(2)