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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060476
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.006
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4654 8.441521   0  0  1    2   10.4553  8.449653   -0.0101 -0.008132
   16.4741 5.374674   1  0  1    2   16.4512  5.382095   -0.0229 -0.007421
   17.9645 4.932127   1  1  0    2   17.9476  4.936741   -0.0169 -0.004614
   21.0099 4.223773   0  0  2    2   21.0046  4.224827   -0.0053 -0.001054
   24.6260 3.611268   1  0  2    2   24.6033  3.614542   -0.0227 -0.003273
   25.5031 3.489050   2  0  0    2   25.4901  3.490803   -0.0130 -0.001753
   27.6217 3.226115   2  0  1    2   27.6199  3.226316   -0.0018 -0.000202
   30.5093 2.927087   2  1  1    2   30.4919  2.928720   -0.0174 -0.001632
   33.2618 2.690924   2  0  2    2   33.2602  2.691048   -0.0016 -0.000123
   34.3000 2.611826   1  0  3    2   34.2976  2.612006   -0.0024 -0.000180
   35.7374 2.510017   2  1  2    2   35.7233  2.510976   -0.0141 -0.000959
   36.6845 2.447369   1  1  3    2   36.6996  2.446399    0.0151  0.000970
   37.9160 2.370674   2  2  1    2   37.9381  2.369342    0.0221  0.001332
   40.1404 2.244300   3  0  1    2   40.1523  2.243660    0.0119  0.000640
   40.8245 2.208262   3  1  0    2   40.8339  2.207778    0.0094  0.000484
   42.7645 2.112481   0  0  4    2   42.7659  2.112413    0.0014  0.000068
   44.7744 2.022220   1  0  4    2   44.7821  2.021890    0.0077  0.000330
   46.7395 1.941684   1  1  4    2   46.7292  1.942089   -0.0103 -0.000404
   48.1545 1.887888   3  2  1    2   48.1671  1.887424    0.0126  0.000464
   50.4502 1.807241   2  0  4    2   50.4493  1.807271   -0.0009 -0.000030
   54.2249 1.690023   0  0  5    2   54.2281  1.689931    0.0032  0.000092
   71.0456 1.325634   4  3  2    2   71.0361  1.325788   -0.0095 -0.000154

 rmse = 0.00010253511
 
     A =6.9816(5)              B =6.9816(5)               C =8.4497(7)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 411.86(6)