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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050105
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.011
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9734 9.858380   0  1  0    2    8.9802  9.850890    0.0068  0.007490
   11.9245 7.422223   1  0  0    2   11.9334  7.416687    0.0089  0.005536
   15.0763 5.875801   0  0  1    2   15.0835  5.873026    0.0072  0.002775
   17.2283 5.145936   1  1  0    2   17.2386  5.142896    0.0103  0.003040
   18.0054 4.925422   0  2  0    2   18.0053  4.925445   -0.0001 -0.000023
   20.2160 4.391260   0 -2  1    2   20.2137  4.391752   -0.0023 -0.000492
   21.1283 4.203568   1 -1  1    2   21.1327  4.202708    0.0044  0.000860
   23.0605 3.855379  -2  1  1    2   23.0572  3.855929   -0.0033 -0.000550
   23.3672 3.805443   1 -2  1    2   23.3623  3.806237   -0.0049 -0.000794
   23.9802 3.709491   2  0  0    2   23.9877  3.708344    0.0075  0.001148
   24.8767 3.577746   1  2  0    2   24.8643  3.579501   -0.0124 -0.001756
   28.2263 3.160165  -1 -1  2    2   28.2241  3.160405   -0.0022 -0.000240
   29.3209 3.044590   0 -1  2    2   29.3247  3.044205    0.0038  0.000385
   30.4256 2.936477   0  0  2    2   30.4252  2.936513   -0.0004 -0.000036
   31.0232 2.881240   0 -2  2    2   31.0230  2.881260   -0.0002 -0.000020
   40.5076 2.225656   3  1  0    2   40.5092  2.225573    0.0016  0.000083
   49.2971 1.847346   3  1  1    2   49.2952  1.847412   -0.0019 -0.000066
   52.6926 1.735994  -2  6  0    2   52.6921  1.736009   -0.0005 -0.000015
   89.4669 1.094548   0  9  0    2   89.4674  1.094543    0.0005  0.000005

 rmse = 0.00003422917
 
     A =     8.338(1)          B =    10.6058(6)          C =     6.4396(7)      
 Alpha =    98.92(2)        Beta =   108.91(1)        Gamma =   105.544(9)       
 
 Volume =    500.40(7)