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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060198
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.098
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.4722 3.970159   1  1  2    2   22.4787  3.969014    0.0065  0.001144
   27.8519 3.211623   2  2  0    2   27.8563  3.211123    0.0044  0.000500
   29.9617 2.989362   2  0  2    2   29.9632  2.989210    0.0015  0.000152
   35.6309 2.524338   0  0  4    2   35.6319  2.524272    0.0010  0.000065
   29.2554 3.060147   2  2  1    2   29.2558  3.060101    0.0004  0.000046
   13.8751 6.422075   1  1  0    2   13.8747  6.422246   -0.0004 -0.000171
   37.1384 2.424989   1  5  0    2   37.1381  2.425007   -0.0003 -0.000018
   17.6555 5.046935   0  0  2    2   17.6499  5.048545   -0.0056 -0.001610
   33.1363 2.709015   2  2  2    2   33.1304  2.709487   -0.0059 -0.000472
   16.4500 5.416178   1  1  1    2   16.4415  5.418973   -0.0085 -0.002795
   24.0939 3.705396   1  3  0    2   24.0961  3.705064    0.0022  0.000332

 rmse = 0.00002904441
 
     A =7.4186(8)              B =12.830(1)               C =10.0971(9)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 961.0(1)