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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060745
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.078
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.3645 3.265610   1  1  0    2   27.3937  3.262181    0.0292  0.003428
   35.9643 2.500311   1  0  1    2   35.9676  2.500090    0.0033  0.000221
   39.0646 2.308321   2  0  0    2   39.0929  2.306710    0.0283  0.001611
   41.1110 2.197801   1  1  1    2   41.1056  2.198079   -0.0054 -0.000277
   43.9049 2.063954   2  1  0    2   43.9221  2.063185    0.0172  0.000770
   54.1488 1.694632   2  1  1    2   54.1244  1.695339   -0.0244 -0.000707
   56.4474 1.630859   2  2  0    2   56.4387  1.631091   -0.0087 -0.000232
   62.4596 1.487344   0  0  2    2   62.4577  1.487383   -0.0019 -0.000040
   63.8430 1.458369   3  1  0    2   63.8175  1.458892   -0.0255 -0.000523
   69.4599 1.353387   1  1  2    2   69.4622  1.353348    0.0023  0.000039
   81.9495 1.175619   3  2  1    2   81.9670  1.175412    0.0175  0.000207
   89.0707 1.099044   2  2  2    2   89.0712  1.099039    0.0005  0.000005

 rmse = 0.00020433470
 
     A =4.6134(5)              B =4.6134(5)               C =2.9748(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 63.31(1)