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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050376
 
 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
   17.2057 5.162106   1  1  0    2   17.2037  5.162710   -0.0020 -0.000604
   19.8821 4.471357   2  0  0    2   19.8835  4.471038    0.0014  0.000319
   21.0557 4.224205   1  1  1    2   21.0591  4.223531    0.0034  0.000674
   23.3206 3.818072   2  0  1    2   23.3150  3.818976   -0.0056 -0.000904
   24.2489 3.673713   0  0  2    2   24.2603  3.672005    0.0114  0.001707
   29.1030 3.070174   2  1  1    2   29.1022  3.070259   -0.0008 -0.000086
   38.3180 2.349557   1  3  1    2   38.3153  2.349718   -0.0027 -0.000161
   40.3559 2.235359   4  0  0    2   40.3529  2.235519   -0.0030 -0.000160
   40.7962 2.212219   1  1  3    2   40.8016  2.211937    0.0054  0.000282
   42.8298 2.111666   2  2  2    2   42.8277  2.111765   -0.0021 -0.000100
   46.5383 1.951508   4  1  0    2   46.5430  1.951321    0.0047  0.000187
   47.6300 1.909254   4  0  2    2   47.6238  1.909488   -0.0062 -0.000234
   49.6559 1.835931   0  0  4    2   49.6538  1.836003   -0.0021 -0.000071
   54.7795 1.675573   3  3  1    2   54.7815  1.675517    0.0020  0.000055
   73.3245 1.290686   4  4  0    2   73.3251  1.290678    0.0006  0.000009

 rmse = 0.00003830248
 
     A =    10.3254(2)         B =    10.3254(2)          C =     7.3440(4)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    678.07(4)