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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060033
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.024
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.6067 2.830547   3  0  1    2   31.6193  2.829443    0.0126  0.001104
   19.8471 4.475149   2  0  0    2   19.8587  4.472559    0.0116  0.002589
   42.8131 2.111604   3  0  3    2   42.8222  2.111177    0.0091  0.000426
   24.3574 3.654897   2  1  1    2   24.3600  3.654507    0.0026  0.000390
   52.0470 1.756434   3  4  1    2   52.0496  1.756353    0.0026  0.000081
   28.1905 3.165608   2  2  0    2   28.1929  3.165348    0.0024  0.000261
   73.1512 1.293043   4  4  4    2   73.1533  1.293012    0.0021  0.000031
   62.1493 1.492874   4  2  4    2   62.1481  1.492899   -0.0012 -0.000025
   58.1888 1.584732   0  4  4    2   58.1871  1.584774   -0.0017 -0.000042
   47.6024 1.909616   3  2  3    2   47.5980  1.909781   -0.0044 -0.000165
   14.0067 6.328516   1  1  0    2   14.0019  6.330695   -0.0048 -0.002180
   40.3316 2.235693   4  0  0    2   40.3206  2.236280   -0.0110 -0.000587
   34.6955 2.585121   2  2  2    2   34.6830  2.586024   -0.0125 -0.000903

 rmse = 0.00006956938
 
     A =8.945(1)               B =8.961(1)                C =8.969(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 718.90(7)