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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050188
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.069
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9147 9.988573   0  0  2    2    8.9273  9.974351    0.0126  0.014222
   17.8387 4.987293   0  0  4    2   17.8391  4.987176    0.0004  0.000117
   21.6302 4.118087   0  2  2    2   21.6351  4.117154    0.0049  0.000932
   22.9517 3.883163  -1  1  3    2   22.9535  3.882863    0.0018  0.000300
   23.8560 3.737545   0  2  3    2   23.8513  3.738270   -0.0047 -0.000725
   25.5456 3.493372  -1  1  4    2   25.5516  3.492561    0.0060  0.000811
   26.8620 3.324647   0  0  6    2   26.8609  3.324784   -0.0011 -0.000137
   27.8917 3.203899   1  1  4    2   27.9004  3.202920    0.0087  0.000979
   29.9158 2.991069   0  2  5    2   29.9142  2.991224   -0.0016 -0.000155
   31.2857 2.862862   1  1  5    2   31.2884  2.862624    0.0027  0.000238
   32.1113 2.790957  -1  1  6    2   32.1094  2.791120   -0.0019 -0.000164
   36.0580 2.493422   0  0  8    2   36.0555  2.493588   -0.0025 -0.000166
   40.8797 2.209267   2  0  4    2   40.8769  2.209410   -0.0028 -0.000143
   42.4206 2.132382   1  3  5    2   42.4199  2.132415   -0.0007 -0.000034
   45.5025 1.994641   0  0 10    2   45.4970  1.994870   -0.0055 -0.000230
   65.5132 1.424957   0  0 14    2   65.5158  1.424907    0.0026  0.000049

 rmse = 0.00003410401
 
     A =     5.2047(7)         B =     9.040(1)           C =    20.0493(6)      
 Alpha =    90.             Beta =    95.742(9)       Gamma =    90.             
 
 Volume =    938.6(2)