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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050409
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.2012 4.877869   0  0  2    2   18.2048  4.876908    0.0036  0.000961
   25.0755 3.552453   1  1  0    2   25.0751  3.552514   -0.0004 -0.000061
   31.1454 2.871910   1  1  2    2   31.1504  2.871457    0.0050  0.000453
   36.8590 2.438427   0  0  4    2   36.8586  2.438454   -0.0004 -0.000027
   39.8415 2.262357   2  1  1    2   39.8435  2.262249    0.0020  0.000108
   40.3562 2.234661   2  0  3    2   40.3560  2.234672   -0.0002 -0.000012
   44.1426 2.051234   3  0  0    2   44.1469  2.051045    0.0043  0.000189
   45.0937 2.010127   1  1  4    2   45.0868  2.010418   -0.0069 -0.000291
   48.1156 1.890621   3  0  2    2   48.1149  1.890647   -0.0007 -0.000026
   51.4207 1.776523   2  2  0    2   51.4289  1.776257    0.0082  0.000266
   55.0035 1.668913   2  2  2    2   55.0003  1.669003   -0.0032 -0.000090
   58.8071 1.569655   3  0  4    2   58.8083  1.569625    0.0012  0.000030
   62.8458 1.478097   1  1  6    2   62.8401  1.478218   -0.0057 -0.000121
   64.9209 1.435754   2  2  4    2   64.9222  1.435729    0.0013  0.000025
   70.0507 1.342591   4  1  0    2   70.0427  1.342724   -0.0080 -0.000133
   73.0535 1.294611   4  1  2    2   73.0571  1.294555    0.0036  0.000056
   74.4372 1.273925   3  0  6    2   74.4320  1.274001   -0.0052 -0.000077
   78.3863 1.219307   0  0  8    2   78.3925  1.219227    0.0062  0.000080
   79.9607 1.199204   2  2  6    2   79.9596  1.199218   -0.0011 -0.000014
   81.8493 1.176234   4  1  4    2   81.8525  1.176196    0.0032  0.000038

 rmse = 0.00005602097
 
     A =     7.1050(2)         B =     7.1050(2)          C =     9.7538(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    426.41(2)