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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050076
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.021
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1990 7.909342   1  1  0    2   11.1964  7.911181   -0.0026 -0.001840
   13.2025 6.711301   0  2  0    2   13.2082  6.708429    0.0057  0.002873
   18.1245 4.896161   2  0  0    2   18.1192  4.897578   -0.0053 -0.001417
   21.8422 4.069659   1  3  0    2   21.8496  4.068293    0.0074  0.001366
   23.1193 3.847453  -2  0  1    2   23.1096  3.849041   -0.0097 -0.001589
   27.8812 3.199705  -1  3  1    2   27.8884  3.198897    0.0072  0.000808
   33.2343 2.695207   0  4  1    2   33.2369  2.695002    0.0026  0.000204
   33.9920 2.636804   3  3  0    2   33.9886  2.637060   -0.0034 -0.000256
   35.4976 2.528273  -2  4  1    2   35.4906  2.528758   -0.0070 -0.000485
   37.0036 2.428700  -4  0  1    2   37.0087  2.428374    0.0051  0.000326

 rmse = 0.00005012941
 
     A =    10.129(2)          B =    13.416(4)           C =     4.681(3)       
 Alpha =    90.             Beta =   104.76(3)        Gamma =    90.             
 
 Volume =    615.2(3)