******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070002
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.003
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.8453 8.973555   0  2  0    2    9.8488  8.970346    0.0035  0.003209
   10.5863 8.347239   1  1  0    2   10.5877  8.346143    0.0014  0.001095
   18.2109 4.866573  -1  1  1    2   18.2174  4.864859    0.0065  0.001715
   23.0248 3.858973  -1  3  1    2   23.0172  3.860225   -0.0076 -0.001252
   24.4425 3.638293  -2  2  1    2   24.4483  3.637436    0.0058  0.000856
   26.1947 3.398791   1  3  1    2   26.1981  3.398362    0.0034  0.000429
   27.4167 3.250031   2  4  0    2   27.4216  3.249467    0.0049  0.000565
   28.8137 3.095573   3  1  0    2   28.8125  3.095699   -0.0012 -0.000127
   30.2277 2.953925   2  2  1    2   30.2192  2.954735   -0.0085 -0.000810
   32.1457 2.781937   3  3  0    2   32.1444  2.782048   -0.0013 -0.000111
   33.0422 2.708485   1  5  1    2   33.0400  2.708661   -0.0022 -0.000177
   34.6544 2.586093   0  6  1    2   34.6497  2.586436   -0.0047 -0.000344
   35.4873 2.527287  -2  0  2    2   35.4898  2.527112    0.0025  0.000175
   38.9465 2.310427  -3  5  1    2   38.9460  2.310455   -0.0005 -0.000028
   41.7430 2.161891   2  6  1    2   41.7431  2.161885    0.0001  0.000005
   44.8947 2.017179   3  5  1    2   44.8957  2.017135    0.0010  0.000044
   55.7416 1.647644   4  6  1    2   55.7473  1.647491    0.0057  0.000154
   57.2760 1.607099   1 11  0    2   57.2758  1.607104   -0.0002 -0.000005
   65.7049 1.419870  -6  6  1    2   65.7035  1.419896   -0.0014 -0.000027
   68.3837 1.370633   5  1  2    2   68.3825  1.370655   -0.0012 -0.000022

 rmse = 0.00003325129
 
     A =9.7043(4)              B =17.9407(7)              C =5.3053(5)           
 Alpha =90                  Beta =103.691(4)          Gamma =90                  
 
 Volume = 897.41(7)