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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050565
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.125
  
 Number of iterations =   1

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.3219 4.139705  -1  1  3    2   21.3179  4.140474   -0.0040 -0.000769
   21.9471 4.023841   1 -2  2    2   21.9444  4.024326   -0.0027 -0.000485
   24.2213 3.652881   0 -2  2    2   24.2194  3.653158   -0.0019 -0.000277
   12.3153 7.109079   0  0  2    2   12.3142  7.109690   -0.0011 -0.000611
   18.5114 4.757170   1  1  0    2   18.5117  4.757097    0.0003  0.000073
   31.1162 2.860640  -2  3  2    2   31.1174  2.860537    0.0012  0.000103
   10.6148 8.230549   0  1  0    2   10.6203  8.226330    0.0055  0.004219
   20.9347 4.214933   0 -1  3    2   20.9406  4.213775    0.0059  0.001158

 rmse = 0.00003238262
 
     A =9.69(2)                B =9.579(2)                C =14.257(7)           
 Alpha =91.56(3)            Beta =92.53(9)            Gamma =120.66(5)           
 
 Volume = 1130(1)