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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060554
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.077
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.3975 7.810150   1  0  1    2   11.4067  7.803850    0.0092  0.006300
   19.6065 4.541765   1  0  3    2   19.6082  4.541381    0.0017  0.000384
   19.8390 4.488851   2  0  0    2   19.8430  4.487957    0.0040  0.000894
   22.5805 3.947799   0  0  4    2   22.5750  3.948745   -0.0055 -0.000946
   24.9345 3.579012   2  1  2    2   24.9386  3.578433    0.0041  0.000579
   26.6408 3.352858   1  1  4    2   26.6411  3.352816    0.0003  0.000042
   28.1684 3.173903   2  2  0    2   28.1724  3.173465    0.0040  0.000438
   30.0386 2.979906   1  0  5    2   30.0393  2.979836    0.0007  0.000070
   31.8389 2.814986   2  1  4    2   31.8385  2.815024   -0.0004 -0.000038
   33.5979 2.671180   3  1  2    2   33.5983  2.671148    0.0004  0.000032
   35.9950 2.498213   3  1  3    2   35.9911  2.498477   -0.0039 -0.000264
   36.2315 2.482412   2  1  5    2   36.2307  2.482467   -0.0008 -0.000055
   37.0194 2.431256   1  1  6    2   37.0135  2.431634   -0.0059 -0.000378
   45.2102 2.007228   4  2  0    2   45.2138  2.007075    0.0036  0.000153
   55.4621 1.657504   5  2  1    2   55.4593  1.657582   -0.0028 -0.000078
   58.4520 1.579526   0  0 10    2   58.4531  1.579498    0.0011  0.000028
   59.8040 1.546960   3  2  8    2   59.8054  1.546927    0.0014  0.000033

 rmse = 0.00002663013
 
     A =     8.9759(2)         B =     8.9759(2)          C =    15.7949(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1272.55(7)