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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050398
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.058
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.7633 6.455715   0  2  0    2   13.7672  6.453907    0.0039  0.001808
   17.4604 5.091662   1  1  0    2   17.4588  5.092115   -0.0016 -0.000454
   17.9274 4.959635   0  1  1    2   17.9311  4.958625    0.0037  0.001010
   20.4870 4.343646  -1  1  1    2   20.4862  4.343810   -0.0008 -0.000164
   21.1705 4.204544   1  2  0    2   21.1714  4.204359    0.0009  0.000184
   23.7444 3.753160  -1  2  1    2   23.7465  3.752833    0.0021  0.000327
   26.2585 3.398446   1  3  0    2   26.2581  3.398496   -0.0004 -0.000051
   26.5751 3.358584   0  3  1    2   26.5803  3.357934    0.0052  0.000651
   27.3091 3.269766   1  1  1    2   27.2998  3.270864   -0.0093 -0.001098
   27.6752 3.227247   0  4  0    2   27.6778  3.226954    0.0026  0.000293
   28.3974 3.146625  -1  3  1    2   28.3997  3.146370    0.0023  0.000254
   29.8577 2.995669   1  2  1    2   29.8637  2.995079    0.0060  0.000590
   33.3946 2.685480   0  0  2    2   33.3960  2.685366    0.0014  0.000113
   34.1321 2.629023   0  1  2    2   34.1314  2.629074   -0.0007 -0.000051
   34.5916 2.595087  -2  2  1    2   34.5879  2.595353   -0.0037 -0.000266
   40.0453 2.252829  -1  5  1    2   40.0464  2.252770    0.0011  0.000059
   43.9831 2.059565   1  2  2    2   43.9801  2.059699   -0.0030 -0.000133
   48.5336 1.876327  -2  4  2    2   48.5312  1.876416   -0.0024 -0.000089
   50.2830 1.814996   1  6  1    2   50.2810  1.815065   -0.0020 -0.000069
   57.0908 1.613453   0  8  0    2   57.0899  1.613477   -0.0009 -0.000024
   58.8726 1.568750  -3  4  2    2   58.8741  1.568713    0.0015  0.000037
   61.9660 1.497579   2  4  2    2   61.9678  1.497539    0.0018  0.000040
   67.1654 1.393620  -1  8  2    2   67.1658  1.393613    0.0004  0.000007

 rmse = 0.00002594313
 
     A =     5.8113(3)         B =    12.9078(3)          C =     5.6321(3)      
 Alpha =    90.             Beta =   107.526(3)       Gamma =    90.             
 
 Volume =    402.86(2)