******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050333
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.3075 4.844345  -1  1  1    2   18.2949  4.847667   -0.0126 -0.003321
   26.3669 3.378535   1  3  1    2   26.3566  3.379828   -0.0103 -0.001293
   56.4080 1.630077   4  6  1    2   56.4029  1.630213   -0.0051 -0.000135
   35.6175 2.519190  -2  0  2    2   35.6133  2.519479   -0.0042 -0.000289
   39.4247 2.284184  -3  5  1    2   39.4222  2.284326   -0.0025 -0.000142
   42.1339 2.143332   2  6  1    2   42.1335  2.143354   -0.0004 -0.000022
   23.1684 3.837393  -1  3  1    2   23.1685  3.837375    0.0001  0.000018
   29.2520 3.051440   3  1  0    2   29.2523  3.051409    0.0003  0.000032
    9.9597 8.881717   0  2  0    2    9.9603  8.881223    0.0006  0.000494
   43.9638 2.058252   2  0  2    2   43.9649  2.058204    0.0011  0.000049
   10.7438 8.234663   1  1  0    2   10.7450  8.233716    0.0012  0.000947
   33.2916 2.689730   1  5  1    2   33.2953  2.689442    0.0037  0.000288
   40.1966 2.242073  -3  1  2    2   40.2017  2.241797    0.0051  0.000275
   27.7705 3.210824   2  4  0    2   27.7760  3.210202    0.0055  0.000622
   45.3563 1.998232   3  5  1    2   45.3649  1.997872    0.0086  0.000360

 rmse = 0.00004921313
 
     A =     9.560(1)          B =    17.762(3)           C =     5.3045(6)      
 Alpha =    90.             Beta =   103.599(7)       Gamma =    90.             
 
 Volume =    875.5(1)