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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050489
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.9801 5.921093   0  0  2    2   14.9959  5.914886    0.0158  0.006207
   22.0461 4.034078   2  2  2    2   22.0518  4.033042    0.0057  0.001036
   27.4093 3.254810   4  0  2    2   27.4067  3.255115   -0.0026 -0.000305
   30.2192 2.957953   0  0  4    2   30.2245  2.957443    0.0053  0.000510
   36.4441 2.465305   6  2  0    2   36.4384  2.465675   -0.0057 -0.000370
   39.0979 2.303733   3  3  4    2   39.0900  2.304182   -0.0079 -0.000449
   43.2781 2.090249   6  2  3    2   43.2701  2.090617   -0.0080 -0.000368
   44.2176 2.047962   7  3  0    2   44.2251  2.047632    0.0075  0.000330
   45.2679 2.002824   6  3  3    2   45.2739  2.002573    0.0060  0.000251
   54.4922 1.683389   7  3  4    2   54.4883  1.683501   -0.0039 -0.000112
   55.0865 1.666615   4  3  6    2   55.0888  1.666550    0.0023  0.000065
   67.3203 1.390286   7  7  4    2   67.3176  1.390335   -0.0027 -0.000049
   69.7186 1.348188   9  5  4    2   69.7219  1.348131    0.0033  0.000056

 rmse = 0.00005802984
 
     A =    15.5943(8)         B =    15.5943(8)          C =    11.829(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2876.7(2)