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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060070
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   43.9681 2.059971   1  1  3    2   43.9725  2.059774    0.0044  0.000197
   48.3311 1.883508   3  1  2    2   48.3355  1.883346    0.0044  0.000161
   21.9355 4.058140   2  0  0    2   21.9397  4.057370    0.0042  0.000769
   28.2016 3.167419   1  0  2    2   28.2042  3.167130    0.0026  0.000289
   46.9348 1.936297   2  2  2    2   46.9369  1.936216    0.0021  0.000081
   56.1797 1.637309   2  3  2    2   56.1814  1.637263    0.0017  0.000045
   49.6432 1.836702   1  2  3    2   49.6446  1.836654    0.0014  0.000048
   25.9293 3.440167   0  0  2    2   25.9310  3.439951    0.0017  0.000216
   29.1409 3.067242   1  2  0    2   29.1424  3.067084    0.0015  0.000159
   42.2637 2.139120   3  1  1    2   42.2646  2.139077    0.0009  0.000043
   33.1414 2.704983   3  0  0    2   33.1423  2.704914    0.0009  0.000069
   34.1948 2.623898   2  0  2    2   34.1955  2.623844    0.0007  0.000054
   51.6215 1.770794   4  1  0    2   51.6219  1.770782    0.0004  0.000012
   45.4415 1.996468   2  0  3    2   45.4417  1.996461    0.0002  0.000006
   18.9780 4.685091   1  1  0    2   18.9782  4.685048    0.0002  0.000044
   31.9727 2.801302   1  2  1    2   31.9725  2.801322   -0.0002 -0.000020
   40.0817 2.250546   3  1  0    2   40.0802  2.250624   -0.0015 -0.000078
   39.3779 2.289186   1  2  2    2   39.3763  2.289275   -0.0016 -0.000088
   50.8170 1.796953   2  3  1    2   50.8149  1.797022   -0.0021 -0.000069
   63.3624 1.467743   5  0  2    2   63.3601  1.467791   -0.0023 -0.000049
   35.6905 2.517130   3  0  1    2   35.6874  2.517341   -0.0031 -0.000212
   53.2663 1.719872   0  0  4    2   53.2629  1.719975   -0.0034 -0.000103
   32.3130 2.772525   1  1  2    2   32.3098  2.772794   -0.0032 -0.000268
   23.0076 3.870979   1  1  1    2   22.9989  3.872432   -0.0087 -0.001453
   16.9420 5.244988   1  0  1    2   16.9332  5.247689   -0.0088 -0.002701

 rmse = 0.00002607313
 
     A =9.3701(2)              B =9.3701(2)               C =6.8799(2)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 523.12(2)