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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050502
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.6308 3.349434   1  1  0    2   26.6302  3.349513   -0.0006 -0.000079
   33.9253 2.643233   1  0  1    2   33.9259  2.643189    0.0006  0.000044
   37.9986 2.368431   2  0  0    2   37.9981  2.368463   -0.0005 -0.000032
   39.0314 2.308041   1  1  1    2   39.0292  2.308167   -0.0022 -0.000125
   42.6817 2.118531   2  1  0    2   42.6841  2.118418    0.0024  0.000113
   51.8245 1.763941   2  1  1    2   51.8253  1.763914    0.0008  0.000027
   54.8066 1.674732   2  2  0    2   54.8057  1.674757   -0.0009 -0.000024
   57.8921 1.592536   0  0  2    2   57.8902  1.592583   -0.0019 -0.000047
   61.9301 1.497968   3  1  0    2   61.9310  1.497948    0.0009  0.000020
   64.7977 1.438388   1  1  2    2   64.8030  1.438284    0.0053  0.000104
   66.0214 1.414646   3  0  1    2   66.0192  1.414688   -0.0022 -0.000042
   78.7670 1.214495   3  2  1    2   78.7645  1.214528   -0.0025 -0.000033
   81.1930 1.184202   4  0  0    2   81.1905  1.184232   -0.0025 -0.000030
   87.2798 1.116556   3  3  0    2   87.2848  1.116504    0.0050  0.000051
   89.8539 1.091113   3  1  2    2   89.8520  1.091132   -0.0019 -0.000019

 rmse = 0.00003576385
 
     A =     4.73692(6)        B =     4.73692(6)         C =     3.18516(8)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     71.470(2)