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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040078
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.2503 3.397071   1  1  1    2   26.2501  3.397091   -0.0002 -0.000020
   27.2517 3.274294   0  2  1    2   27.2583  3.273516    0.0066  0.000778
   31.1512 2.872222   0  0  2    2   31.1522  2.872130    0.0010  0.000092
   33.1680 2.701833   0  1  2    2   33.1667  2.701932   -0.0013 -0.000099
   37.2948 2.411484   0  3  1    2   37.3087  2.410616    0.0139  0.000869
   37.9232 2.372916   1  1  2    2   37.9205  2.373082   -0.0027 -0.000166
   41.2275 2.189861   2  1  1    2   41.2178  2.190354   -0.0097 -0.000494
   42.9369 2.106474   2  2  0    2   42.9392  2.106366    0.0023  0.000108
   45.8892 1.977470   2  2  1    2   45.8860  1.977602   -0.0032 -0.000132
   50.2568 1.815240   1  3  2    2   50.2671  1.814891    0.0103  0.000349
   52.4925 1.743010   1  1  3    2   52.4881  1.743147   -0.0044 -0.000137
   61.8683 1.499296   2  4  1    2   61.8584  1.499512   -0.0099 -0.000215
   63.3929 1.466838   1  5  1    2   63.3901  1.466895   -0.0028 -0.000057
   75.2959 1.261640   3  3  2    2   75.3032  1.261535    0.0073  0.000105
   78.0245 1.224178   1  3  4    2   78.0237  1.224189   -0.0008 -0.000011

 rmse = 0.00007834002
 
     A =     4.9632(5)         B =     7.9673(7)          C =     5.7442(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    227.15(2)