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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040090
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.0922 4.909462   1  0  1    2   18.1000  4.907347    0.0078  0.002115
   29.0322 3.077103   1  1  2    2   29.0370  3.076600    0.0048  0.000503
   31.1042 2.876429   2  0  0    2   31.1095  2.875949    0.0053  0.000480
   32.5333 2.753114   1  0  3    2   32.5312  2.753287   -0.0021 -0.000173
   36.2070 2.481455   2  1  1    2   36.2102  2.481246    0.0032  0.000209
   44.5626 2.033245   2  2  0    2   44.5543  2.033603   -0.0083 -0.000358
   51.0712 1.788155   1  0  5    2   51.0672  1.788287   -0.0040 -0.000132
   58.6922 1.572673   3  2  1    2   58.6855  1.572836   -0.0067 -0.000163
   60.1300 1.538435   2  2  4    2   60.1358  1.538300    0.0058  0.000135
   64.8134 1.438053   4  0  0    2   64.8173  1.437974    0.0039  0.000078

 rmse = 0.00006104838
 
     A =     5.7518(2)         B =     5.7518(2)          C =     9.4076(8)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    311.24(3)