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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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R080006
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.178
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.1931 2.714182   1  1  0    2   15.2436  2.705141    0.0505  0.009041
   21.5377 1.913593   2  0  0    2   21.5464  1.912823    0.0087  0.000770
   22.7124 1.815031   1  1  2    2   22.7541  1.811719    0.0417  0.003312
   25.5482 1.614946   2  1  1    2   25.5552  1.614509    0.0070  0.000436
   30.6057 1.351374   2  2  0    2   30.5781  1.352570   -0.0276 -0.001196
   34.2674 1.209860   3  1  0    2   34.2698  1.209776    0.0024  0.000084
   37.3733 1.111975   1  1  4    2   37.3720  1.112012   -0.0013 -0.000037
   38.4034 1.083085   3  1  2    2   38.3758  1.083839   -0.0276 -0.000754
   41.5695 1.003471   3  0  3    2   41.5666  1.003539   -0.0029 -0.000068
   59.4451 0.717226   5  1  2    2   59.4541  0.717126    0.0090  0.000099

 rmse = 0.00077587249
 
     A =3.8256(7)              B =3.8256(7)               C =4.879(3)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 71.41(4)