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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050412
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.024
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.2396 5.818196   1  0  1    2   15.2440  5.816519    0.0044  0.001676
   17.0518 5.202853   0  0  2    2   17.0594  5.200557    0.0076  0.002296
   24.8123 3.588778   1  1  2    2   24.8057  3.589722   -0.0066 -0.000944
   25.3928 3.507959   2  0  0    2   25.3919  3.508075   -0.0009 -0.000116
   28.7223 3.108095   1  0  3    2   28.7208  3.108251   -0.0015 -0.000156
   29.7408 3.003847   2  1  1    2   29.7392  3.004003   -0.0016 -0.000156
   30.7422 2.908167   2  0  2    2   30.7412  2.908260   -0.0010 -0.000093
   34.4804 2.600732   0  0  4    2   34.4866  2.600278    0.0062  0.000453
   36.1933 2.481398   2  2  0    2   36.2056  2.480583    0.0123  0.000815
   38.7019 2.326035   2  1  3    2   38.6949  2.326438   -0.0070 -0.000404
   39.4713 2.282421   3  0  1    2   39.4834  2.281747    0.0121  0.000674
   40.6563 2.218549   3  1  0    2   40.6534  2.218701   -0.0029 -0.000152
   41.6144 2.169628   3  1  1    2   41.6093  2.169883   -0.0051 -0.000254
   50.8612 1.794570   2  2  4    2   50.8524  1.794861   -0.0088 -0.000291
   52.1187 1.754170   4  0  0    2   52.1229  1.754037    0.0042  0.000133
   56.9215 1.616971   4  1  2    2   56.9093  1.617289   -0.0122 -0.000319
   61.7295 1.502009   4  2  2    2   61.7298  1.502001    0.0003  0.000008
   63.9880 1.454312   4  0  4    2   63.9970  1.454130    0.0090  0.000182
   72.6874 1.300142   0  0  8    2   72.6876  1.300139    0.0002  0.000002

 rmse = 0.00007152184
 
     A =     7.0161(3)         B =     7.0161(3)          C =    10.4011(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    512.00(5)