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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050255
 
 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
    5.323016.715584   0  0  1    2    5.3242 16.711909    0.0012  0.003675
    9.5093 9.332634   1  1  0    2    9.5047  9.337158   -0.0046 -0.004524
   10.6312 8.346383   0  0  2    2   10.6190  8.355955   -0.0122 -0.009572
   13.4451 6.599955   2  0  0    2   13.4402  6.602368   -0.0049 -0.002413
   15.0270 5.906663   2  1  0    2   15.0304  5.905337    0.0034  0.001326
   17.1551 5.176694   2  0  2    2   17.1427  5.180407   -0.0124 -0.003713
   18.4201 4.823152   2  1  2    2   18.4224  4.822562    0.0023  0.000590
   19.0187 4.672351   2  2  0    2   19.0342  4.668579    0.0155  0.003772
   20.8907 4.256885   2  0  3    2   20.8870  4.257625   -0.0037 -0.000740
   25.2410 3.531019   2  0  4    2   25.2449  3.530486    0.0039  0.000533
   26.1519 3.409868   2  1  4    2   26.1455  3.410685   -0.0064 -0.000817
   28.6954 3.112716   2  2  4    2   28.6897  3.113327   -0.0057 -0.000611
   31.5137 2.840114   4  0  3    2   31.5154  2.839966    0.0017  0.000148
   32.5244 2.754018   3  2  4    2   32.5243  2.754029   -0.0001 -0.000012
   33.5958 2.668492   1  1  6    2   33.5880  2.669093   -0.0078 -0.000601
   33.9527 2.641220   4  3  0    2   33.9563  2.640947    0.0036  0.000273
   35.3189 2.542002   4  1  4    2   35.3223  2.541765    0.0034  0.000237
   38.8769 2.316912   3  1  6    2   38.8730  2.317137   -0.0039 -0.000225
   40.1819 2.244547   5  3  1    2   40.1905  2.244084    0.0086  0.000463
   40.3998 2.232930   4  3  4    2   40.4106  2.232355    0.0108  0.000575
   41.6106 2.170646   6  1  0    2   41.6066  2.170845   -0.0040 -0.000199
   42.7550 2.115102   5  2  4    2   42.7626  2.114745    0.0076  0.000357
   44.4472 2.038350   1  1  8    2   44.4417  2.038591   -0.0055 -0.000241
   45.3503 1.999799   3  2  7    2   45.3457  1.999990   -0.0046 -0.000191
   45.9055 1.976874   5  2  5    2   45.9006  1.977076   -0.0049 -0.000201
   48.0268 1.894319   3  3  7    2   48.0273  1.894300    0.0005  0.000019
   50.2765 1.814632   3  2  8    2   50.2788  1.814555    0.0023  0.000077
   58.7371 1.571627   6  2  7    2   58.7366  1.571640   -0.0005 -0.000013
   62.2572 1.490893   4  0 10    2   62.2514  1.491019   -0.0058 -0.000126
   64.4718 1.444890   2  2 11    2   64.4817  1.444692    0.0099  0.000198
   65.3736 1.427111   8  4  3    2   65.3758  1.427069    0.0022  0.000042
   68.0871 1.376658   9  1  4    2   68.0808  1.376770   -0.0063 -0.000112

 rmse = 0.00005365682
 
     A =13.2047(4)             B =13.2047(4)              C =16.7119(6)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 2914.0(0)