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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050013
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.4395 6.593979   2  6  0    2   13.4460  6.590802    0.0065  0.003177
   14.4507 6.134026   1  1  1    2   14.4584  6.130765    0.0077  0.003261
   15.1181 5.864295   1  3  1    2   15.1233  5.862290    0.0052  0.002005
   16.3778 5.415340   1  5  1    2   16.3739  5.416609   -0.0039 -0.001270
   18.7959 4.722907   0 12  0    2   18.8038  4.720939    0.0079  0.001967
   19.2871 4.603576   4  0  0    2   19.2932  4.602133    0.0061  0.001443
   20.1608 4.405776   1  9  1    2   20.1637  4.405137    0.0029  0.000639
   20.3904 4.356626   3  3  1    2   20.3942  4.355831    0.0038  0.000795
   21.1565 4.200396   2 12  0    2   21.1553  4.200626   -0.0012 -0.000229
   27.7026 3.220104   1 15  1    2   27.6968  3.220764   -0.0058 -0.000660
   28.2103 3.163248   5  3  1    2   28.2077  3.163529   -0.0026 -0.000281
   30.9778 2.886458   3 15  1    2   30.9757  2.886646   -0.0021 -0.000188
   31.2897 2.858372   5  9  1    2   31.2845  2.858832   -0.0052 -0.000460
   36.3417 2.471520   1 21  1    2   36.3412  2.471554   -0.0005 -0.000034
   37.1427 2.420007   7  3  1    2   37.1417  2.420069   -0.0010 -0.000062
   41.4469 2.177954   6  6  2    2   41.4477  2.177916    0.0008  0.000038
   53.3988 1.715043  10 12  0    2   53.3976  1.715078   -0.0012 -0.000035
   58.3121 1.581632   9 21  1    2   58.3145  1.581574    0.0024  0.000059

 rmse = 0.00002548601
 
     A =    18.4085(7)         B =    56.651(4)           C =     6.5451(8)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   6825.7(7)