******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050496
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.043
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.8996 4.467472   0  2  0    2   19.9064  4.465952    0.0068  0.001521
   26.6192 3.351208   0  2  1    2   26.6146  3.351783   -0.0046 -0.000575
   27.5478 3.240141   2  2  0    2   27.5574  3.239035    0.0096  0.001106
   29.8518 2.994742  -2  2  1    2   29.8542  2.994509    0.0024  0.000233
   30.2231 2.958739   3  1  0    2   30.2168  2.959340   -0.0063 -0.000601
   30.8689 2.898211  -3  1  1    2   30.8688  2.898221   -0.0001 -0.000010
   34.9525 2.567975  -1  3  1    2   34.9528  2.567954    0.0003  0.000021
   38.9646 2.312004   3  1  1    2   38.9632  2.312083   -0.0014 -0.000079
   40.5491 2.225146   1  1  2    2   40.5518  2.225006    0.0027  0.000140
   41.8403 2.159344   3  3  0    2   41.8400  2.159357   -0.0003 -0.000013
   42.3419 2.134890  -3  3  1    2   42.3341  2.135265   -0.0078 -0.000374
   42.8370 2.111331  -4  2  1    2   42.8422  2.111086    0.0052  0.000245
   44.3323 2.043456   0  4  1    2   44.3272  2.043680   -0.0051 -0.000224
   52.1065 1.755134   1  5  0    2   52.1097  1.755033    0.0032  0.000102
   59.5439 1.552275   3  5  0    2   59.5441  1.552270    0.0002  0.000006

 rmse = 0.00004513004
 
     A =     9.7738(9)         B =     8.9319(4)          C =     5.2683(8)      
 Alpha =    90.             Beta =   105.69(1)        Gamma =    90.             
 
 Volume =    442.77(6)