******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060565
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.096
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.4928 9.404059  -1  0  1    2    9.5057  9.391197    0.0129  0.012863
   12.1124 7.359171   1  0  1    2   12.1080  7.361856   -0.0044 -0.002685
   13.0077 6.850821  -1  1  1    2   12.9894  6.860525   -0.0183 -0.009704
   14.9892 5.943487   1  1  1    2   15.0026  5.938189    0.0134  0.005298
   16.6878 5.338640   2  1  0    2   16.6795  5.341302   -0.0083 -0.002663
   18.9730 4.697190  -2  0  2    2   18.9795  4.695598    0.0065  0.001592
   19.5744 4.553498   0  2  1    2   19.5767  4.552971    0.0023  0.000527
   24.1394 3.698280  -1  0  3    2   24.1367  3.698687   -0.0027 -0.000407
   24.5917 3.631007   3  0  1    2   24.5922  3.630940    0.0005  0.000067

 rmse = 0.00004446016
 
     A =12.998(7)              B =10.046(5)               C =11.107(3)           
 Alpha =90                  Beta =103.99(4)           Gamma =90                  
 
 Volume = 1407.4(9)