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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050603
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.038
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   35.6940 2.510791   0  4  1    2   35.6840  2.511472   -0.0100 -0.000681
   40.8758 2.203958   3  3  1    2   40.8687  2.204326   -0.0071 -0.000368
   28.1042 3.168291   2  1  1    2   28.0972  3.169068   -0.0070 -0.000777
   60.6851 1.523947   0  8  0    2   60.6795  1.524074   -0.0056 -0.000128
   72.6240 1.300171   7  2  1    2   72.6189  1.300250   -0.0051 -0.000079
   59.9104 1.541775   5  4  1    2   59.9050  1.541900   -0.0054 -0.000125
   35.0846 2.552947   2  3  1    2   35.0792  2.553329   -0.0054 -0.000382
   42.4121 2.127681   1  1  2    2   42.4087  2.127843   -0.0034 -0.000162
   34.6274 2.585565   2  4  0    2   34.6245  2.585778   -0.0029 -0.000213
   55.9698 1.640543   2  7  0    2   55.9688  1.640569   -0.0010 -0.000026
   41.3139 2.181614   2  5  0    2   41.3132  2.181650   -0.0007 -0.000036
   52.9922 1.725423   4  5  0    2   52.9921  1.725425   -0.0001 -0.000002
   70.7815 1.329408   0  4  3    2   70.7829  1.329386    0.0014  0.000022
   23.2829 3.811245   2  2  0    2   23.2821  3.811376   -0.0008 -0.000131
   46.3110 1.957367   2  5  1    2   46.3115  1.957345    0.0005  0.000022
   29.2374 3.048176   0  4  0    2   29.2377  3.048149    0.0003  0.000028
   68.6129 1.366014   6  4  1    2   68.6146  1.365984    0.0017  0.000030
   37.4951 2.394339   4  1  0    2   37.4976  2.394186    0.0025  0.000153
   37.2377 2.410279   3  2  1    2   37.2415  2.410041    0.0038  0.000238
   19.5239 4.534319   2  1  0    2   19.5281  4.533344    0.0042  0.000975
   74.6013 1.270550   6  6  0    2   74.6076  1.270459    0.0063  0.000091
   24.7738 3.585503   0  2  1    2   24.7794  3.584709    0.0056  0.000794
   36.7341 2.442125   4  0  0    2   36.7404  2.441723    0.0063  0.000401
   30.8750 2.890329   2  2  1    2   30.8815  2.889735    0.0065  0.000594
   50.1795 1.815270   1  6  1    2   50.1874  1.815003    0.0079  0.000267
   40.2999 2.234085   2  4  1    2   40.3124  2.233424    0.0125  0.000661

 rmse = 0.00005639191
 
     A =     9.7668(3)         B =    12.1925(5)          C =     4.4318(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    527.76(3)