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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050417
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.073
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.5030 3.248829   1  1  0    2   27.4972  3.249503   -0.0058 -0.000674
   36.1400 2.488185   1  0  1    2   36.1384  2.488289   -0.0016 -0.000104
   39.2414 2.298014   2  0  0    2   39.2462  2.297746    0.0048  0.000268
   41.3001 2.187892   1  1  1    2   41.2956  2.188119   -0.0045 -0.000228
   44.0918 2.055392   2  1  0    2   44.0969  2.055166    0.0051  0.000226
   54.3681 1.688155   2  1  1    2   54.3700  1.688100    0.0019  0.000055
   56.6746 1.624713   2  2  0    2   56.6731  1.624752   -0.0015 -0.000038
   62.8096 1.479774   0  0  2    2   62.8061  1.479848   -0.0035 -0.000074
   64.0906 1.453219   3  1  0    2   64.0904  1.453222   -0.0002 -0.000003
   69.0444 1.360433   3  0  1    2   69.0452  1.360420    0.0008  0.000013
   69.8438 1.346789   1  1  2    2   69.8451  1.346767    0.0013  0.000022
   76.5742 1.244186   2  0  2    2   76.5772  1.244145    0.0030  0.000042
   82.3715 1.170596   3  2  1    2   82.3688  1.170628   -0.0027 -0.000032

 rmse = 0.00003703176
 
     A =     4.59549(8)        B =     4.59549(8)         C =     2.95969(7)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     62.504(2)