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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050665
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.061
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.500210.469001   0  0  2    2    8.5230 10.440876    0.0228  0.028124
   37.3588 2.408889   0  4  3    2   37.3518  2.409323   -0.0070 -0.000434
   28.5186 3.133865   1  0  5    2   28.5143  3.134330   -0.0043 -0.000465
   25.9677 3.436367   1  2  1    2   25.9638  3.436873   -0.0039 -0.000506
   32.2825 2.775858   1  3  0    2   32.2788  2.776171   -0.0037 -0.000313
   55.0427 1.668701   1  3 10    2   55.0394  1.668794   -0.0033 -0.000093
   32.5724 2.751765   1  3  1    2   32.5701  2.751957   -0.0023 -0.000192
   34.8239 2.578520   1  3  3    2   34.8223  2.578639   -0.0016 -0.000118
   26.8795 3.321566   1  1  4    2   26.8779  3.321760   -0.0016 -0.000194
   29.8396 2.997782   1  1  5    2   29.8386  2.997882   -0.0010 -0.000100
   40.4363 2.232091   1  1  8    2   40.4357  2.232121   -0.0006 -0.000030
   30.8889 2.898094   1  2  4    2   30.8884  2.898138   -0.0005 -0.000044
   42.8226 2.112889   2  1  4    2   42.8229  2.112873    0.0003  0.000016
   56.5836 1.626810   0  6  4    2   56.5840  1.626799    0.0004  0.000011
   25.6350 3.480312   0  0  6    2   25.6352  3.480292    0.0002  0.000020
   17.3111 5.136385   0  2  0    2   17.3119  5.136144    0.0008  0.000241
   62.5563 1.484918   0  6  7    2   62.5580  1.484881    0.0017  0.000036
   33.1264 2.706914   1  1  6    2   33.1289  2.706711    0.0025  0.000203
   17.8278 4.988152   0  2  1    2   17.8302  4.987493    0.0024  0.000659
   19.2978 4.610160   0  2  2    2   19.3040  4.608694    0.0062  0.001466
   41.6290 2.170760   1  3  6    2   41.6387  2.170276    0.0097  0.000484
   22.7200 3.921023   1  0  3    2   22.7297  3.919367    0.0097  0.001655

 rmse = 0.00003624766
 
     A =     4.7426(4)         B =    10.2722(4)          C =    20.881(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1017.32(8)