******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050080
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.860110.023708   0  0  2    2    8.8606 10.023172    0.0005  0.000536
   17.7339 5.010023   0  0  4    2   17.7283  5.011586   -0.0056 -0.001563
   21.6799 4.104312   0  2  2    2   21.6852  4.103325    0.0053  0.000987
   22.9705 3.876088  -1  1  3    2   22.9868  3.873378    0.0163  0.002710
   23.8804 3.730137   0  2  3    2   23.8743  3.731076   -0.0061 -0.000938
   25.5684 3.487135  -1  1  4    2   25.5542  3.489044   -0.0142 -0.001909
   26.7018 3.341382   0  0  6    2   26.7044  3.341057    0.0026  0.000324
   27.8787 3.202710   1  1  4    2   27.8881  3.201655    0.0094  0.001055
   29.8740 2.992859   0  2  5    2   29.8750  2.992757    0.0010  0.000102
   31.2535 2.863637   1  1  5    2   31.2446  2.864430   -0.0089 -0.000792
   45.2389 2.004677   0  0 10    2   45.2399  2.004634    0.0010  0.000042

 rmse = 0.00006398999
 
     A =     5.177(2)          B =     8.994(3)           C =    20.146(3)       
 Alpha =    90.             Beta =    95.70(2)        Gamma =    90.             
 
 Volume =    933.6(5)