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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 file_id=7020[1]
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.025
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.0965 2.875946   1  1  1    2   31.0930  2.876265   -0.0035 -0.000319
   43.6839 2.071532   1  3  2    2   43.6807  2.071678   -0.0032 -0.000146
   35.0871 2.557215   1  1  2    2   35.0843  2.557413   -0.0028 -0.000198
   56.4839 1.628501   1  1  5    2   56.4811  1.628574   -0.0028 -0.000073
   18.3441 4.839049   0  0  2    2   18.3416  4.839703   -0.0025 -0.000654
   40.4293 2.230567   1  3  1    2   40.4285  2.230612   -0.0008 -0.000044
   58.3957 1.579633   2  0  0    2   58.3955  1.579637   -0.0002 -0.000004
   34.8490 2.574152   1  2  1    2   34.8491  2.574148    0.0001  0.000004
   33.0445 2.710590   0  2  3    2   33.0455  2.710514    0.0010  0.000076
   39.2944 2.292379   1  3  0    2   39.2956  2.292311    0.0012  0.000068
   59.1898 1.560312   2  1  0    2   59.1917  1.560266    0.0019  0.000046
   29.6534 3.012659   1  1  0    2   29.6567  3.012333    0.0033  0.000326
   41.4437 2.178250   0  2  4    2   41.4507  2.177901    0.0070  0.000350

 rmse = 0.00003104311
 
     A =3.15927(8)             B =9.994(1)                C =9.6794(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 305.60(3)