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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050602
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.063
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.1333 4.024271   2  0  0    2   22.1371  4.023583    0.0038  0.000689
   23.0269 3.869653   0  0  2    2   23.0361  3.868124    0.0092  0.001529
   24.3832 3.656830   2  1  0    2   24.3837  3.656757    0.0005  0.000073
   24.9883 3.569408   2  0  1    2   24.9866  3.569652   -0.0017 -0.000244
   25.8931 3.446389   1  2  1    2   25.8956  3.446058    0.0025  0.000331
   27.0091 3.306131   2  1  1    2   27.0099  3.306035    0.0008  0.000096
   27.5746 3.239444   1  1  2    2   27.5744  3.239471   -0.0002 -0.000027
   30.1869 2.964204   2  2  0    2   30.1891  2.963996    0.0022  0.000208
   30.8623 2.900723   0  2  2    2   30.8683  2.900176    0.0060  0.000547
   33.7630 2.657380   2  1  2    2   33.7640  2.657300    0.0010  0.000080
   35.0176 2.564819   3  1  0    2   35.0153  2.564982   -0.0023 -0.000162
   36.3396 2.474326   0  1  3    2   36.3458  2.473918    0.0062  0.000408
   36.9546 2.434477   3  1  1    2   36.9518  2.434652   -0.0028 -0.000175
   38.2842 2.352790   2  2  2    2   38.2856  2.352706    0.0014  0.000084
   39.4145 2.287774   3  2  0    2   39.4120  2.287912   -0.0025 -0.000137
   41.2223 2.191368   0  4  0    2   41.2210  2.191437   -0.0013 -0.000069
   41.6285 2.170886   2  0  3    2   41.6240  2.171111   -0.0045 -0.000224
   47.8813 1.900589   4  1  1    2   47.8780  1.900712   -0.0033 -0.000122
   50.1857 1.818475   3  1  3    2   50.1831  1.818564   -0.0026 -0.000089
   52.3285 1.748849   4  1  2    2   52.3256  1.748940   -0.0029 -0.000091
   56.2790 1.634955   1  4  3    2   56.2748  1.635068   -0.0042 -0.000113
   62.2494 1.491551   4  2  3    2   62.2508  1.491520    0.0014  0.000031
   66.4288 1.407391   5  2  2    2   66.4356  1.407263    0.0068  0.000127
   77.0953 1.236936   5  3  3    2   77.0936  1.236959   -0.0017 -0.000024
   81.6889 1.178539   1  7  2    2   81.6898  1.178528    0.0009  0.000011

 rmse = 0.00003573895
 
     A =     8.0471(2)         B =     8.7657(2)          C =     7.7362(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    545.71(2)