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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061031
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0222 8.054272   0  0  2    2   11.0375  8.043127    0.0153  0.011145
   16.7113 5.315311   1  1  0    2   16.7042  5.317562   -0.0071 -0.002251
   20.0367 4.437982   1  1  2    2   20.0467  4.435779    0.0100  0.002203
   22.1269 4.022369   0  0  4    2   22.1314  4.021563    0.0045  0.000806
   25.1287 3.547369   1  0  4    2   25.1362  3.546320    0.0075  0.001049
   26.1774 3.407334   2  0  2    2   26.1859  3.406249    0.0085  0.001086
   27.8321 3.208065   1  1  4    2   27.8366  3.207557    0.0045  0.000508
   32.6225 2.746420   2  0  4    2   32.6207  2.746571   -0.0018 -0.000151
   33.4402 2.681015   0  0  6    2   33.4399  2.681042   -0.0003 -0.000027
   45.0976 2.010669   0  0  8    2   45.0949  2.010782   -0.0027 -0.000113
   46.7759 1.942290   1  0  8    2   46.7695  1.942540   -0.0064 -0.000250
   56.7569 1.621857   3  3  4    2   56.7528  1.621963   -0.0041 -0.000107
   70.1948 1.340464   0  0 12    2   70.1914  1.340521   -0.0034 -0.000057
   80.1497 1.197058   2  2 12    2   80.1554  1.196987    0.0057  0.000070

 rmse = 0.00004928766
 
     A =7.5202(5)              B =7.5202(5)               C =16.0863(5)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 909.7(1)