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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040171
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.2202 8.655446   0  0  2    2   10.2207  8.655056    0.0005  0.000390
   16.3363 5.424396   1  0  2    2   16.3372  5.424101    0.0009  0.000294
   18.0163 4.921939   1  1  0    2   18.0166  4.921856    0.0003  0.000082
   20.5203 4.326383   0  0  4    2   20.5148  4.327528   -0.0055 -0.001145
   24.2076 3.674852   1  0  4    2   24.2057  3.675141   -0.0019 -0.000289
   25.5852 3.479954   2  0  0    2   25.5828  3.480278   -0.0024 -0.000324
   27.6073 3.229403   2  0  2    2   27.6108  3.229003    0.0035  0.000400
   30.5017 2.929139   2  1  2    2   30.5014  2.929166   -0.0003 -0.000027
   33.6054 2.665297   1  0  6    2   33.6072  2.665158    0.0018  0.000140
   35.5011 2.527163   1  2  4    2   35.5033  2.527010    0.0022  0.000153
   37.9949 2.366790   2  2  2    2   37.9897  2.367102   -0.0052 -0.000312
   40.9755 2.201208   1  3  0    2   40.9772  2.201121    0.0017  0.000087
   41.7142 2.163911   0  0  8    2   41.7172  2.163764    0.0030  0.000147
   44.2632 2.045006   3  0  4    2   44.2672  2.044830    0.0040  0.000176
   45.7802 1.980694   1  1  8    2   45.7776  1.980800   -0.0026 -0.000106
   49.5749 1.837573   2  0  8    2   49.5750  1.837571    0.0001  0.000002
   50.4431 1.807957   3  0  6    2   50.4408  1.808034   -0.0023 -0.000077

 rmse = 0.00002419269
 
     A =     6.9605(2)         B =     6.9605(2)          C =    17.3101(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    838.66(5)