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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050303
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.047
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.6751 5.027032  -1  0  2    2   17.6793  5.025844    0.0042  0.001189
   22.1186 4.023996   2  0  0    2   22.1177  4.024155   -0.0009 -0.000159
   23.5860 3.776358   1  1  1    2   23.5948  3.774973    0.0088  0.001386
   25.4901 3.497895  -2  1  1    2   25.4929  3.497512    0.0028  0.000383
   26.1491 3.411059   1  0  2    2   26.1433  3.411803   -0.0058 -0.000744
   27.7742 3.214716   2  0  1    2   27.7705  3.215141   -0.0037 -0.000425
   30.7995 2.905010  -1  1  3    2   30.7969  2.905249   -0.0026 -0.000239
   31.6950 2.824823   0  2  0    2   31.6942  2.824895   -0.0008 -0.000071
   35.4008 2.536752   2  0  2    2   35.3988  2.536889   -0.0020 -0.000137
   44.1523 2.051577   2  0  3    2   44.1611  2.051188    0.0088  0.000389
   47.1484 1.927823   2  1  3    2   47.1425  1.928052   -0.0059 -0.000229
   57.4246 1.604579   0  3  3    2   57.4250  1.604570    0.0004  0.000009

 rmse = 0.00004787521
 
     A =8.907(3)               B =5.6498(5)               C =10.176(3)           
 Alpha =90                  Beta =115.37(2)           Gamma =90                  
 
 Volume = 462.7(0)