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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050024
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.9337 4.962893   1  0  1    2   17.9422  4.960565    0.0085  0.002328
   27.5279 3.246318   1  1  2    2   27.5309  3.245975    0.0030  0.000343
   29.5495 3.028090   0  0  4    2   29.5496  3.028079    0.0001  0.000011
   32.9875 2.719199   2  0  0    2   32.9931  2.718747    0.0056  0.000452
   37.7849 2.383550   1  2  1    2   37.7751  2.384148   -0.0098 -0.000597
   40.8152 2.212975   1  0  5    2   40.8186  2.212798    0.0034  0.000177
   43.4829 2.082950   2  1  3    2   43.4802  2.083073   -0.0027 -0.000123
   44.8397 2.022915   2  0  4    2   44.8379  2.022994   -0.0018 -0.000079
   47.3145 1.922544   2  2  0    2   47.3171  1.922444    0.0026  0.000100
   51.1266 1.787569   1  1  6    2   51.1336  1.787341    0.0070  0.000228
   55.5842 1.654106   3  1  2    2   55.5842  1.654107    0.0000 -0.000001
   56.7394 1.623095   2  2  4    2   56.7435  1.622987    0.0041  0.000107
   69.1218 1.359154   4  0  0    2   69.1091  1.359373   -0.0127 -0.000220
   71.3124 1.322640   2  0  8    2   71.3050  1.322759   -0.0074 -0.000119
   72.1673 1.309045   1  3  6    2   72.1702  1.309000    0.0029  0.000045
   75.8825 1.253855   3  3  2    2   75.8822  1.253860   -0.0003 -0.000005
   78.6942 1.215906   4  2  0    2   78.6977  1.215860    0.0035  0.000045
   86.1794 1.128355   2  4  4    2   86.1844  1.128302    0.0050  0.000053

 rmse = 0.00006817153
 
     A =     5.4374(1)         B =     5.4374(1)          C =    12.1123(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    358.11(2)