******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060509
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.6688 7.592091   0  2  0    2   11.6570  7.599762   -0.0118 -0.007671
   20.7682 4.278076  -1  2  1    2   20.7679  4.278133   -0.0003 -0.000057
   28.1588 3.168891  -1  1  2    2   28.1569  3.169101   -0.0019 -0.000210
   29.1507 3.063198  -1  4  1    2   29.1516  3.063108    0.0009  0.000089
   36.0027 2.494007   2  0  0    2   36.0106  2.493476    0.0079  0.000531
   37.4189 2.402748   1  4  1    2   37.4124  2.403151   -0.0065 -0.000403
   45.5453 1.990933   1  7  0    2   45.5477  1.990834    0.0024  0.000099
   47.8955 1.898534   0  6  2    2   47.8954  1.898539   -0.0001 -0.000004
   48.4221 1.879101  -1  4  3    2   48.4235  1.879050    0.0014  0.000051
   55.2183 1.662727  -3  4  1    2   55.2160  1.662790   -0.0023 -0.000063

 rmse = 0.00004308097
 
     A =     5.6707(5)         B =    15.199(1)           C =     6.5215(6)      
 Alpha =    90.             Beta =   118.42(1)        Gamma =    90.             
 
 Volume =    494.32(5)