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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060494
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.036
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.4060 6.158663   1  0  0    2   14.4089  6.157415    0.0029  0.001247
   18.7494 4.737870   0  1  1    2   18.7594  4.735372    0.0100  0.002498
   27.5479 3.239387  -1  1  2    2   27.5431  3.239943   -0.0048 -0.000556
   27.8680 3.202853   1  1  1    2   27.8630  3.203415   -0.0050 -0.000562
   29.0174 3.078389   2  0  0    2   29.0143  3.078708   -0.0031 -0.000319
   34.9630 2.566769  -1  2  2    2   34.9654  2.566600    0.0024  0.000170
   35.1918 2.550587  -2  2  1    2   35.1881  2.550843   -0.0037 -0.000257
   44.1222 2.052423   3  0  0    2   44.1211  2.052472   -0.0011 -0.000049
   46.2462 1.962908   2  2  1    2   46.2514  1.962698    0.0052  0.000210
   50.0810 1.821109   0  4  0    2   50.0831  1.821038    0.0021  0.000072
   50.5799 1.804298   0  2  3    2   50.5757  1.804439   -0.0042 -0.000141
   51.1095 1.786825  -4  0  2    2   51.1077  1.786884   -0.0018 -0.000059
   56.8149 1.620070  -2  2  4    2   56.8187  1.619972    0.0038  0.000098
   57.5282 1.601654   2  2  2    2   57.5261  1.601708   -0.0021 -0.000054
   59.7102 1.548194  -4  2  1    2   59.7129  1.548130    0.0027  0.000064
   60.0861 1.539398   4  0  0    2   60.0880  1.539354    0.0019  0.000045
   74.3441 1.275385  -4  4  2    2   74.3416  1.275422   -0.0025 -0.000037

 rmse = 0.00003799080
 
     A =     7.1484(3)         B =     7.2841(3)          C =     7.2349(4)      
 Alpha =    90.             Beta =   120.530(4)       Gamma =    90.             
 
 Volume =    324.50(2)