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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060920
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3278 5.125849   1  1  0    2   17.3323  5.124511    0.0045  0.001338
   20.0206 4.440620   2  0  0    2   20.0327  4.437957    0.0121  0.002664
   21.0532 4.224657   1  1  1    2   21.0612  4.223058    0.0080  0.001599
   23.3466 3.813835   2  0  1    2   23.3491  3.813427    0.0025  0.000408
   23.8874 3.728548   0  0  2    2   23.8936  3.727594    0.0062  0.000954
   25.9402 3.437472   1  0  2    2   25.9452  3.436815    0.0050  0.000657
   26.5818 3.355808   1  2  0    2   26.5901  3.354780    0.0083  0.001028
   29.2032 3.059829   1  2  1    2   29.2083  3.059304    0.0051  0.000524
   29.6487 3.014792   1  1  2    2   29.6521  3.014450    0.0034  0.000342
   30.2167 2.959323   3  0  0    2   30.2239  2.958638    0.0072  0.000685
   31.3454 2.855144   2  0  2    2   31.3546  2.854328    0.0092  0.000816
   38.8750 2.317115   3  0  2    2   38.8701  2.317398   -0.0049 -0.000283
   40.3519 2.235560   1  1  3    2   40.3433  2.236017   -0.0086 -0.000457
   40.6798 2.218275   4  0  0    2   40.6663  2.218978   -0.0135 -0.000704
   42.8359 2.111368   2  2  2    2   42.8325  2.111529   -0.0034 -0.000161
   44.0918 2.054040   1  3  2    2   44.0882  2.054201   -0.0036 -0.000162
   44.5007 2.036093   3  2  0    2   44.4965  2.036274   -0.0042 -0.000181
   45.4241 1.996787   2  1  3    2   45.4219  1.996878   -0.0022 -0.000091
   46.2160 1.964367   3  2  1    2   46.2172  1.964320    0.0012  0.000047
   46.9070 1.937001   1  4  0    2   46.9100  1.936883    0.0030  0.000118
   47.6997 1.906616   4  0  2    2   47.6971  1.906713   -0.0026 -0.000098
   48.8759 1.863408   0  0  4    2   48.8650  1.863797   -0.0109 -0.000389
   52.3049 1.748928   3  1  3    2   52.3058  1.748899    0.0009  0.000029
   54.7202 1.677243   4  2  0    2   54.7150  1.677390   -0.0052 -0.000147
   55.1589 1.664927   3  3  1    2   55.1554  1.665024   -0.0035 -0.000097
   56.4614 1.629540   1  2  4    2   56.4725  1.629245    0.0111  0.000295
   57.4891 1.602807   5  0  2    2   57.4926  1.602719    0.0035  0.000088
   67.0003 1.396368   2  5  1    2   67.0127  1.396139    0.0124  0.000229
   70.9575 1.327839   5  2  2    2   70.9462  1.328024   -0.0113 -0.000185
   73.9598 1.281153   4  4  0    2   73.9615  1.281128    0.0017  0.000025
   76.3510 1.246848   4  2  4    2   76.3542  1.246803    0.0032  0.000045

 rmse = 0.00007190870
 
     A =10.2490(3)             B =10.2490(3)              C =7.4552(5)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 678.19(5)