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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050094
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.003
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.2719 4.850512   2  0  2    2   18.2717  4.850576   -0.0002 -0.000063
   31.9257 2.800616   4  2  2    2   31.9296  2.800280    0.0039  0.000336
   55.1532 1.663825   2  0  8    2   55.1508  1.663892   -0.0024 -0.000066
   56.9047 1.616705   6  0  6    2   56.8988  1.616859   -0.0059 -0.000154
   63.5568 1.462583   6  4  6    2   63.5620  1.462475    0.0052  0.000108
   72.1392 1.308246   3  1 10    2   72.1410  1.308218    0.0018  0.000028
   81.0722 1.185144   7  6  7    2   81.0717  1.185150   -0.0005 -0.000006
   86.8913 1.120106  10  5  5    2   86.8907  1.120112   -0.0006 -0.000006

 rmse = 0.00004571267
 
     A =    13.7180(4)         B =    13.7180(4)          C =    13.7209(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2582.0(1)