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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060493
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.079
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.4996 3.249943   1  1  0    2   27.5005  3.249833    0.0009  0.000109
   36.1390 2.488664   1  0  1    2   36.1380  2.488729   -0.0010 -0.000065
   39.2468 2.298058   2  0  0    2   39.2482  2.297979    0.0014  0.000079
   41.3002 2.188201   1  1  1    2   41.2949  2.188469   -0.0053 -0.000268
   44.0905 2.055724   2  1  0    2   44.0984  2.055375    0.0079  0.000349
   54.3687 1.688315   2  1  1    2   54.3682  1.688329   -0.0005 -0.000014
   56.6777 1.624794   2  2  0    2   56.6731  1.624917   -0.0046 -0.000122
   62.7982 1.480147   0  0  2    2   62.7978  1.480156   -0.0004 -0.000009
   64.0843 1.453472   3  1  0    2   64.0893  1.453370    0.0050  0.000102
   69.0432 1.360561   3  0  1    2   69.0416  1.360589   -0.0016 -0.000028
   69.8361 1.347023   1  1  2    2   69.8362  1.347022    0.0001  0.000001
   82.3666 1.170726   3  2  1    2   82.3631  1.170766   -0.0035 -0.000040
   89.5650 1.094260   2  2  2    2   89.5677  1.094234    0.0027  0.000026

 rmse = 0.00004440763
 
     A =     4.5959(1)         B =     4.5959(1)          C =     2.96031(9)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     62.530(3)