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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050540
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.003
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.9983 5.900670   1  0  1    2   14.9994  5.900224    0.0011  0.000446
   15.8097 5.599675   0  0  2    2   15.8010  5.602731   -0.0087 -0.003056
   16.4730 5.375710   0  1  1    2   16.4648  5.378355   -0.0082 -0.002646
   19.2958 4.595328   1  1  0    2   19.2982  4.594752    0.0024  0.000576
   20.8786 4.250452   1  1  1    2   20.8747  4.251235   -0.0039 -0.000783
   21.4665 4.135374   0  1  2    2   21.4642  4.135812   -0.0023 -0.000438
   25.0300 3.554194   1  1  2    2   25.0399  3.552815    0.0099  0.001379
   27.0816 3.289452   1  0  3    2   27.0848  3.289073    0.0032  0.000380
   30.6301 2.916015   2  1  1    2   30.6315  2.915883    0.0014  0.000132
   31.9164 2.801379   0  0  4    2   31.9166  2.801366    0.0002  0.000014
   33.2840 2.689345   0  2  2    2   33.2861  2.689178    0.0021  0.000167
   35.7780 2.507405   1  2  2    2   35.7763  2.507522   -0.0017 -0.000117
   38.2950 2.348206   2  1  3    2   38.2921  2.348378   -0.0029 -0.000172

 rmse = 0.00002944695
 
     A =     6.9402(9)         B =     6.1307(6)          C =    11.205(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    476.77(6)