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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060285
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   49.6402 1.835757   0  0  4    2   49.6325  1.836023   -0.0077 -0.000266
   41.0574 2.197669   1  1  3    2   41.0505  2.198022   -0.0069 -0.000353
   29.9250 2.985542   2  1  1    2   29.9195  2.986078   -0.0055 -0.000536
   21.5309 4.127918   1  1  1    2   21.5258  4.128893   -0.0051 -0.000976
   47.4564 1.915050   2  3  1    2   47.4518  1.915223   -0.0046 -0.000173
   31.0241 2.882158   3  0  0    2   31.0203  2.882498   -0.0038 -0.000340
   23.8868 3.725485   2  0  1    2   23.8837  3.725966   -0.0031 -0.000482
   43.8401 2.064340   2  2  2    2   43.8377  2.064447   -0.0024 -0.000106
   76.2380 1.248131   4  4  0    2   76.2360  1.248158   -0.0020 -0.000028
   48.8687 1.862932   4  0  2    2   48.8673  1.862983   -0.0014 -0.000051
   20.5473 4.323456   2  0  0    2   20.5459  4.323747   -0.0014 -0.000291
   45.1361 2.008003   3  1  2    2   45.1358  2.008017   -0.0003 -0.000014
   26.3685 3.379926   1  0  2    2   26.3684  3.379939   -0.0001 -0.000013
   41.7681 2.161883   4  0  0    2   41.7683  2.161873    0.0002  0.000010
   17.7713 4.992885   1  1  0    2   17.7722  4.992633    0.0009  0.000252
   46.3188 1.959423   1  2  3    2   46.3200  1.959375    0.0012  0.000048
   30.2059 2.958395   1  1  2    2   30.2089  2.958107    0.0030  0.000288
   27.2805 3.268879   2  1  0    2   27.2842  3.268445    0.0037  0.000434
   39.7379 2.267588   3  0  2    2   39.7420  2.267365    0.0041  0.000223
   45.7110 1.984065   2  3  0    2   45.7157  1.983871    0.0047  0.000194
   48.1999 1.887219   4  1  0    2   48.2048  1.887038    0.0049  0.000181
   36.7995 2.441731   1  2  2    2   36.8045  2.441412    0.0050  0.000319
   24.2340 3.672842   0  0  2    2   24.2393  3.672046    0.0053  0.000796
   57.5411 1.600959   1  2  4    2   57.5493  1.600751    0.0082  0.000208

 rmse = 0.00004312392
 
     A =9.9853(2)              B =9.9853(2)               C =7.3441(3)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 634.14(4)