******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 

 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.072
  
 Number of iterations =   1

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5067 9.366410   0  0  1    2    9.5246  9.348741    0.0179  0.017669
   59.3254 1.558183   0  0  6    2   59.3279  1.558124    0.0025  0.000060
   82.5463 1.168551   4  0  3    2   82.5463  1.168551    0.0000  0.000000
   38.5591 2.337140   1  3  2    2   38.5591  2.337140    0.0000  0.000000
   58.4511 1.579419  -1  3  5    2   58.4511  1.579419    0.0000  0.000000
   25.8727 3.450238  -1  1  2    2   25.8727  3.450238    0.0000  0.000000
   67.5886 1.386172  -1  3  6    2   67.5886  1.386172    0.0000  0.000000
   19.0425 4.674260   0  0  2    2   19.0420  4.674371   -0.0005 -0.000111
   48.7303 1.869721   0  0  5    2   48.7295  1.869748   -0.0008 -0.000027
   70.5190 1.335517   0  0  7    2   70.5180  1.335534   -0.0010 -0.000017
   28.6978 3.115827   0  0  3    2   28.6939  3.116247   -0.0039 -0.000420

 rmse = 0.00002798045
 
     A =5.386(2)               B =9.418(6)                C =9.4341(7)           
 Alpha =89.81(3)            Beta =97.67(3)            Gamma =85.77(4)            
 
 Volume = 473.0(0)