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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050668
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.4846 5.732056   1  1  0    2   15.4879  5.730838    0.0033  0.001218
   20.3706 4.364248   1  1  1    2   20.3734  4.363645    0.0028  0.000603
   24.2779 3.668857   0  0  2    2   24.2793  3.668649    0.0014  0.000208
   27.4742 3.248249   1  3  0    2   27.4770  3.247928    0.0028  0.000321
   29.1498 3.064981   0  2  2    2   29.1531  3.064641    0.0033  0.000340
   29.6240 3.016924  -1  3  1    2   29.6252  3.016807    0.0012  0.000117
   31.2279 2.865338   2  2  0    2   31.2270  2.865419   -0.0009 -0.000081
   32.1182 2.787819   0  4  0    2   32.1215  2.787537    0.0033  0.000282
   32.7158 2.738186  -2  2  1    2   32.7165  2.738127    0.0007  0.000059
   38.9638 2.311845  -1  1  3    2   38.9679  2.311613    0.0041  0.000232
   40.6512 2.219598   0  4  2    2   40.6528  2.219517    0.0016  0.000081
   42.2263 2.140299   2  4  0    2   42.2278  2.140224    0.0015  0.000075
   43.3951 2.085270  -2  4  1    2   43.3881  2.085592   -0.0070 -0.000322
   45.4921 1.993820  -1  3  3    2   45.4860  1.994073   -0.0061 -0.000253
   46.5846 1.949535  -3  1  2    2   46.5766  1.949852   -0.0080 -0.000317
   49.6965 1.834403   0  0  4    2   49.6988  1.834325    0.0023  0.000079
   52.3374 1.747815  -3  3  2    2   52.3395  1.747750    0.0021  0.000065
   53.5576 1.710808   1  1  4    2   53.5542  1.710907   -0.0034 -0.000100
   54.9645 1.670266   4  0  0    2   54.9670  1.670198    0.0025  0.000069
   68.2042 1.374549  -3  3  4    2   68.2068  1.374503    0.0026  0.000046

 rmse = 0.00003986526
 
     A =     6.7054(3)         B =    11.1501(8)          C =     7.3643(3)      
 Alpha =    90.             Beta =    94.912(5)       Gamma =    90.             
 
 Volume =    548.58(4)