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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050643
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.3986 6.622828   1  0  1    2   13.4057  6.619338    0.0071  0.003491
   15.6520 5.671572   1  0  2    2   15.6485  5.672842   -0.0035 -0.001270
   17.7877 4.993571   1  1  0    2   17.7971  4.990961    0.0094  0.002610
   18.4056 4.826929   1  1  1    2   18.4003  4.828304   -0.0053 -0.001374
   18.8132 4.723034   1  0  3    2   18.8126  4.723180   -0.0006 -0.000146
   20.1035 4.422100   1  1  2    2   20.1052  4.421723    0.0017  0.000377
   25.6921 3.469938   2  0  1    2   25.6901  3.470206   -0.0020 -0.000268
   28.6707 3.115346   2  1  1    2   28.6817  3.114178    0.0110  0.001168
   29.4988 3.029627   1  1  5    2   29.4928  3.030233   -0.0060 -0.000606
   29.8316 2.996536   2  1  2    2   29.8311  2.996590   -0.0005 -0.000054
   33.4385 2.680700   1  1  6    2   33.4389  2.680672    0.0004  0.000028
   34.0877 2.631056   2  1  4    2   34.0770  2.631862   -0.0107 -0.000806
   35.3378 2.540684   1  0  7    2   35.3290  2.541297   -0.0088 -0.000613
   38.7802 2.322473   2  2  3    2   38.7735  2.322859   -0.0067 -0.000386
   41.8991 2.156351   2  0  7    2   41.8990  2.156356   -0.0001 -0.000006
   43.9059 2.062240   2  1  7    2   43.9054  2.062263   -0.0005 -0.000023
   45.2953 2.002102   3  0  5    2   45.2893  2.002354   -0.0060 -0.000252
   46.2525 1.962835   2  2  6    2   46.2560  1.962693    0.0035  0.000142
   48.6563 1.871252   3  2  3    2   48.6664  1.870888    0.0101  0.000364
   54.8218 1.674326   3  0  8    2   54.8188  1.674410   -0.0030 -0.000084
   60.4207 1.531769   4  2  3    2   60.4210  1.531762    0.0003  0.000007
   61.1488 1.515251   2  2 10    2   61.1548  1.515117    0.0060  0.000135
   64.9094 1.436197   1  0 13    2   64.9154  1.436079    0.0060  0.000118
   65.5484 1.423726   2  2 11    2   65.5512  1.423672    0.0028  0.000054
   67.6571 1.384363   5  1  0    2   67.6637  1.384244    0.0066  0.000119
   70.8174 1.330097   2  1 13    2   70.8131  1.330168   -0.0043 -0.000071
   78.7679 1.214494   4  3  8    2   78.7589  1.214610   -0.0090 -0.000116
   80.2311 1.195976   2  0 15    2   80.2315  1.195972    0.0004  0.000004

 rmse = 0.00005880110
 
     A =     7.0582(2)         B =     7.0582(2)          C =    19.0678(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    949.94(6)