******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070194
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4156 8.510661   1  1  0    2   10.4213  8.506018    0.0057  0.004642
   18.4600 4.810049   2  0  0    2   18.4620  4.809526    0.0020  0.000522
   26.9703 3.306792   2  4  0    2   26.9698  3.306856   -0.0005 -0.000064
   28.2653 3.158001   3  1  0    2   28.2671  3.157808    0.0018  0.000193
   30.1369 2.965809   2  2  1    2   30.1375  2.965750    0.0006  0.000059
   31.5602 2.835100   3  3  0    2   31.5575  2.835339   -0.0027 -0.000239
   32.3620 2.766600  -3  3  1    2   32.3594  2.766814   -0.0026 -0.000214
   32.7978 2.730794   1  5  1    2   32.8004  2.730584    0.0026  0.000210
   34.2698 2.616687   0  6  1    2   34.2670  2.616891   -0.0028 -0.000204
   38.0486 2.364842  -3  5  1    2   38.0523  2.364621    0.0037  0.000222
   39.6150 2.274798   3  3  1    2   39.6134  2.274888   -0.0016 -0.000090
   41.3839 2.181488   2  6  1    2   41.3830  2.181534   -0.0009 -0.000045
   55.1400 1.665112   4  6  1    2   55.1410  1.665083    0.0010  0.000029
   63.9711 1.454778  -6  6  1    2   63.9708  1.454784   -0.0003 -0.000006

 rmse = 0.00001973164
 
     A =9.9589(3)              B =18.216(2)               C =5.344(1)            
 Alpha =90                  Beta =105.011(5)          Gamma =90                  
 
 Volume = 936.3(1)