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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070616
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.017
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.3701 6.151536   0  0  3    2   14.3754  6.149265    0.0053  0.002271
   29.0016 3.074564   0  0  6    2   29.0009  3.074632   -0.0007 -0.000068
   44.1281 2.049837   0  0  9    2   44.1300  2.049755    0.0019  0.000082
   58.3118 1.580667   1  1  0    2   58.3255  1.580328    0.0137  0.000340
   66.4458 1.405575   1  1  6    2   66.4479  1.405536    0.0021  0.000039
   75.9840 1.251136   1  1  9    2   75.9548  1.251545   -0.0292 -0.000409
   88.6661 1.102084   1  1 12    2   88.6808  1.101939    0.0147  0.000145

 rmse = 0.00022455679
 
     A =3.1607(6)              B =3.1607(6)               C =18.448(5)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 159.60(4)