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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050270
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.1041 5.866816   1  0  0    2   15.1022  5.867543   -0.0019 -0.000727
   16.1444 5.490682   0  0  1    2   16.1386  5.492658   -0.0058 -0.001975
   21.4203 4.147772   1  1  0    2   21.4140  4.148980   -0.0063 -0.001208
   22.1609 4.010706   1  0  1    2   22.1655  4.009881    0.0046  0.000826
   26.9303 3.309846   1  1  1    2   26.9238  3.310633   -0.0065 -0.000787
   30.4647 2.933228   2  0  0    2   30.4589  2.933772   -0.0058 -0.000544
   32.5908 2.746476   0  0  2    2   32.5926  2.746329    0.0018  0.000147
   34.6586 2.587130   2  0  1    2   34.6498  2.587770   -0.0088 -0.000640
   39.3337 2.289608   1  1  2    2   39.3253  2.290079   -0.0084 -0.000471
   43.6061 2.074589   2  2  0    2   43.6083  2.074490    0.0022  0.000099
   45.1984 2.005109   2  0  2    2   45.2024  2.004940    0.0040  0.000168
   46.7896 1.940537   2  2  1    2   46.7858  1.940687   -0.0038 -0.000150
   49.0827 1.855077   3  1  0    2   49.0714  1.855480   -0.0113 -0.000403
   49.7762 1.830836   0  0  3    2   49.7748  1.830886   -0.0014 -0.000050
   51.9871 1.758030   3  1  1    2   51.9916  1.757887    0.0045  0.000143
   54.7765 1.674891   1  1  3    2   54.7711  1.675042   -0.0054 -0.000152
   55.4639 1.655743   2  2  2    2   55.4794  1.655317    0.0155  0.000427
   60.1351 1.537778   3  1  2    2   60.1484  1.537469    0.0133  0.000309
   63.3592 1.467048   4  0  0    2   63.3670  1.466886    0.0078  0.000162
   70.1243 1.341122   3  3  1    2   70.1236  1.341134   -0.0007 -0.000011
   81.2049 1.183763   4  2  2    2   81.1967  1.183862   -0.0082 -0.000099
   86.3190 1.126250   5  1  1    2   86.3172  1.126269   -0.0018 -0.000019

 rmse = 0.00008210857
 
     A =5.8675(2)              B =5.8675(2)               C =5.4927(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 189.10(2)