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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050426
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.2102 6.234093   1  1  0    2   14.2173  6.231010    0.0071  0.003083
   26.3773 3.377980   2  1  1    2   26.3711  3.378761   -0.0062 -0.000781
   28.6416 3.115728   2  2  0    2   28.6437  3.115505    0.0021  0.000223
   30.7729 2.904513   1  1  2    2   30.7784  2.904007    0.0055  0.000506
   34.0460 2.632270   2  0  2    2   34.0472  2.632176    0.0012  0.000094
   39.8726 2.259871   2  2  2    2   39.8766  2.259652    0.0040  0.000220
   47.5030 1.913027   2  1  3    2   47.5022  1.913057   -0.0008 -0.000030
   49.8201 1.829317   4  0  2    2   49.8240  1.829183    0.0039  0.000133
   52.0793 1.755126   3  3  2    2   52.0795  1.755120    0.0002  0.000007
   56.0039 1.641041   0  0  4    2   56.0003  1.641137   -0.0036 -0.000096
   59.2925 1.557604   4  4  0    2   59.2863  1.557752   -0.0062 -0.000148
   76.4153 1.245583   2  1  5    2   76.4139  1.245602   -0.0014 -0.000019
   85.9760 1.129860   4  4  4    2   85.9792  1.129826    0.0032  0.000034

 rmse = 0.00004091874
 
     A =8.8120(3)              B =8.8120(3)               C =6.5645(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 509.74(3)