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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050077
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.044
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   42.5234 2.126271   0  3  3    2   42.5143  2.126707   -0.0091 -0.000436
   44.3732 2.041741   1  5  2    2   44.3654  2.042082   -0.0078 -0.000341
   25.6215 3.479845   0  1  2    2   25.6150  3.480720   -0.0065 -0.000875
   34.2169 2.621678   3  1  2    2   34.2111  2.622111   -0.0058 -0.000434
   17.8394 4.980202   0  2  1    2   17.8336  4.981804   -0.0058 -0.001602
   29.6643 3.013442   4  1  0    2   29.6591  3.013963   -0.0052 -0.000520
   30.1956 2.961541   1  2  2    2   30.1924  2.961848   -0.0032 -0.000307
   47.3512 1.919923   3  4  2    2   47.3480  1.920044   -0.0032 -0.000121
   27.9923 3.189806   2  0  2    2   27.9900  3.190060   -0.0023 -0.000254
   84.1270 1.150245  10  1  3    2   84.1249  1.150268   -0.0021 -0.000023
   19.3086 4.603571   3  0  0    2   19.3072  4.603904   -0.0014 -0.000332
   34.8036 2.578758   0  5  1    2   34.8037  2.578752    0.0001  0.000005
   42.8123 2.112574   4  2  2    2   42.8133  2.112527    0.0010  0.000047
   41.7195 2.165409   4  3  1    2   41.7212  2.165325    0.0017  0.000084
   62.7241 1.480984   2  4  4    2   62.7269  1.480924    0.0028  0.000060
   38.3917 2.345317   5  1  1    2   38.3948  2.345136    0.0031  0.000181
   44.8399 2.021547   1  6  1    2   44.8433  2.021401    0.0034  0.000147
   28.6939 3.113267   4  0  1    2   28.6974  3.112896    0.0035  0.000371
   44.0692 2.055132   2  2  3    2   44.0748  2.054882    0.0056  0.000250
   21.0476 4.226175   2  1  1    2   21.0532  4.225054    0.0056  0.001121
   26.3753 3.381910   1  3  1    2   26.3812  3.381166    0.0059  0.000744
   13.9069 6.382857   1  0  1    2   13.9129  6.380120    0.0060  0.002737
   55.3099 1.660791   0  6  3    2   55.3167  1.660601    0.0068  0.000189
   22.3128 3.988840   2  2  0    2   22.3227  3.987098    0.0099  0.001742

 rmse = 0.00004478631
 
     A =    15.9483(6)         B =    15.9483(6)          C =     7.1936(4)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1584.57(9)