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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040107
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.3611 9.486306   1  0  1    2    9.3720  9.475283    0.0109  0.011023
   13.5805 6.536915   2  0  0    2   13.5858  6.534347    0.0053  0.002568
   16.0949 5.517976   1  1  2    2   16.0949  5.517992    0.0000 -0.000016
   16.5087 5.380197   1  2  1    2   16.5116  5.379246    0.0029  0.000951
   18.7559 4.738751   2  0  2    2   18.7603  4.737641    0.0044  0.001109
   20.5535 4.327248   1  0  3    2   20.5532  4.327302   -0.0003 -0.000054
   24.6901 3.609470   1  2  3    2   24.7011  3.607888    0.0110  0.001582
   25.1634 3.542517   3  1  2    2   25.1632  3.542547   -0.0002 -0.000030
   25.4337 3.505409   3  2  1    2   25.4367  3.505006    0.0030  0.000403
   25.9343 3.438749   0  0  4    2   25.9285  3.439503   -0.0058 -0.000754
   27.3135 3.267866   4  0  0    2   27.3194  3.267174    0.0059  0.000692
   28.2797 3.158191   3  0  3    2   28.2775  3.158428   -0.0022 -0.000237
   28.9247 3.089103   1  4  1    2   28.9284  3.088714    0.0037  0.000389
   29.3688 3.043321   2  0  4    2   29.3660  3.043607   -0.0028 -0.000286
   30.6122 2.922295   4  2  0    2   30.6127  2.922249    0.0005  0.000046
   31.4805 2.843525   3  2  3    2   31.4790  2.843660   -0.0015 -0.000135
   31.8474 2.811551   3  3  2    2   31.8499  2.811336    0.0025  0.000215
   33.3235 2.690133   2  4  2    2   33.3300  2.689623    0.0065  0.000510
   33.9278 2.643522   3  1  4    2   33.9257  2.643683   -0.0021 -0.000161
   34.4146 2.607185   1  4  3    2   34.4110  2.607450   -0.0036 -0.000265
   36.0951 2.489405   2  1  5    2   36.0937  2.489496   -0.0014 -0.000090
   37.9953 2.369009   4  0  4    2   37.9984  2.368821    0.0031  0.000189
   38.7233 2.326077   3  0  5    2   38.7181  2.326377   -0.0052 -0.000300
   39.0050 2.309904   4  4  0    2   38.9991  2.310241   -0.0059 -0.000336
   41.7571 2.163636   2  0  6    2   41.7568  2.163651   -0.0003 -0.000015
   42.4303 2.130814   3  5  2    2   42.4263  2.131008   -0.0040 -0.000193
   49.5626 1.839299   3  3  6    2   49.5617  1.839331   -0.0009 -0.000032
   68.2479 1.373902   3  7  6    2   68.2491  1.373880    0.0012  0.000022
   68.9952 1.360824   1  1 10    2   68.9964  1.360802    0.0012  0.000022

 rmse = 0.00002963797
 
     A =    13.0686(4)         B =    13.0686(4)          C =    13.7580(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2349.7(1)