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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R100218
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.060
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   78.7089 1.213954   0  4  0    2   78.7014  1.214050   -0.0075 -0.000096
   60.5428 1.526667   0  1  3    2   60.5369  1.526801   -0.0059 -0.000134
   67.5709 1.384099   2  0  2    2   67.5660  1.384186   -0.0049 -0.000087
   31.7355 2.812027  -1  0  2    2   31.7321  2.812323   -0.0034 -0.000296
   72.4212 1.302957  -4  1  3    2   72.4193  1.302986   -0.0019 -0.000029
   78.4845 1.216858  -2  3  3    2   78.4829  1.216879   -0.0016 -0.000021
   36.6951 2.443168  -2  0  2    2   36.6935  2.443269   -0.0016 -0.000100
   73.1885 1.291190  -4  1  1    2   73.1871  1.291212   -0.0014 -0.000022
   59.7811 1.544266  -3  1  3    2   59.7800  1.544291   -0.0011 -0.000025
   53.8978 1.697909   2  1  1    2   53.8976  1.697914   -0.0002 -0.000005
   41.2716 2.182602  -2  1  2    2   41.2718  2.182592    0.0002  0.000010
   63.2859 1.467001  -3  2  2    2   63.2863  1.466993    0.0004  0.000008
   25.9493 3.422977   0  1  1    2   25.9507  3.422797    0.0014  0.000179
   36.9353 2.427855  -2  1  1    2   36.9370  2.427746    0.0017  0.000109
   41.8222 2.155173   2  1  0    2   41.8242  2.155074    0.0020  0.000099
   84.8658 1.140964   0  3  3    2   84.8687  1.140932    0.0029  0.000031
   81.1716 1.183254  -3  2  4    2   81.1752  1.183210    0.0036  0.000044
   37.2986 2.405076   2  0  0    2   37.3023  2.404849    0.0037  0.000227
   66.6009 1.401864  -2  3  1    2   66.6046  1.401796    0.0037  0.000069
   18.3665 4.810892   1  0  0    2   18.3711  4.809698    0.0046  0.001195
   79.6016 1.202579   2  2  2    2   79.6068  1.202513    0.0052  0.000065
   60.1880 1.534806   0  3  1    2   60.1938  1.534672    0.0058  0.000133

 rmse = 0.00004979947
 
     A =5.6073(2)              B =4.8562(1)               C =5.6252(2)           
 Alpha =90                  Beta =120.934(2)          Gamma =90                  
 
 Volume = 131.388(5)