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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050035
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.0506 5.903841   0  0  2    2   15.0560  5.901732    0.0054  0.002109
   18.9016 4.705148   2  0  2    2   18.9135  4.702212    0.0119  0.002935
   22.1296 4.023801   2  2  2    2   22.1260  4.024446   -0.0036 -0.000645
   22.9011 3.889622   4  0  0    2   22.8954  3.890580   -0.0057 -0.000958
   25.6324 3.480089   4  2  0    2   25.6343  3.479840    0.0019  0.000248
   27.4849 3.249102   4  0  2    2   27.4921  3.248269    0.0072  0.000834
   30.3203 2.950837   0  0  4    2   30.3200  2.950866   -0.0003 -0.000029
   30.7840 2.907355   3  2  3    2   30.7802  2.907708   -0.0038 -0.000354
   32.5531 2.753003   4  3  2    2   32.5523  2.753066   -0.0008 -0.000063
   35.4946 2.530939   3  1  4    2   35.4970  2.530772    0.0024  0.000167
   36.5434 2.460557   6  2  0    2   36.5425  2.460619   -0.0009 -0.000061
   39.2059 2.299128   3  3  4    2   39.2044  2.299214   -0.0015 -0.000086
   40.3672 2.235530   2  1  5    2   40.3661  2.235587   -0.0011 -0.000057
   40.8830 2.208469   5  3  3    2   40.8785  2.208702   -0.0045 -0.000233
   41.0297 2.200900   7  1  0    2   41.0308  2.200844    0.0011  0.000056
   41.7653 2.163768   7  1  1    2   41.7696  2.163556    0.0043  0.000212
   42.6020 2.123131   6  4  1    2   42.6066  2.122913    0.0046  0.000217
   43.3947 2.086115   6  2  3    2   43.3922  2.086228   -0.0025 -0.000113
   44.3392 2.043787   7  3  0    2   44.3473  2.043433    0.0081  0.000354
   44.7295 2.026833   6  4  2    2   44.7292  2.026844   -0.0003 -0.000012
   45.4031 1.998278   6  3  3    2   45.4007  1.998376   -0.0024 -0.000098
   51.8365 1.764105   7  1  4    2   51.8335  1.764200   -0.0030 -0.000095
   54.6420 1.679879   7  3  4    2   54.6394  1.679954   -0.0026 -0.000075
   55.2491 1.662829   4  3  6    2   55.2456  1.662926   -0.0035 -0.000097
   67.4994 1.387512   7  7  4    2   67.5039  1.387431    0.0045  0.000082
   68.7736 1.364859  11  3  0    2   68.7709  1.364906   -0.0027 -0.000046
   69.9239 1.345176   9  5  4    2   69.9154  1.345318   -0.0085 -0.000142
   73.9740 1.281161   9  2  6    2   73.9824  1.281036    0.0084  0.000125

 rmse = 0.00004806289
 
     A =    15.5623(4)         B =    15.5623(4)          C =    11.8034(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2858.6(1)