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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050131
 
 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
   11.0176 8.026126   1  0  0    2   11.0133  8.029285   -0.0043 -0.003158
   17.6761 5.014349  -1  0  2    2   17.6704  5.015968   -0.0057 -0.001619
   22.1338 4.013375   2  0  0    2   22.1267  4.014642   -0.0071 -0.001267
   22.2982 3.984151  -2  0  2    2   22.2942  3.984860   -0.0040 -0.000708
   23.6295 3.762579   1  1  1    2   23.6234  3.763533   -0.0061 -0.000954
   25.5170 3.488343  -2  1  1    2   25.5170  3.488347    0.0000 -0.000005
   26.1674 3.403085   1  0  2    2   26.1681  3.402997    0.0007  0.000088
   27.8047 3.206277   2  0  1    2   27.7987  3.206957   -0.0060 -0.000680
   29.1777 3.058432   0  0  3    2   29.1853  3.057651    0.0076  0.000781
   30.5791 2.921371  -3  0  2    2   30.5865  2.920677    0.0074  0.000694
   30.8350 2.897705  -1  1  3    2   30.8317  2.898008   -0.0033 -0.000302
   32.0980 2.786498   2  1  1    2   32.0975  2.786541   -0.0005 -0.000043
   33.3228 2.686815   0  1  3    2   33.3216  2.686912   -0.0012 -0.000097
   33.7123 2.656655   1  2  0    2   33.7168  2.656311    0.0045  0.000343
   35.4454 2.530617   2  0  2    2   35.4499  2.530306    0.0045  0.000310
   43.6744 2.070951   0  2  3    2   43.6754  2.070908    0.0010  0.000043
   44.2408 2.045741   2  0  3    2   44.2380  2.045865   -0.0028 -0.000124
   47.2306 1.922967   2  1  3    2   47.2342  1.922830    0.0036  0.000137
   60.3423 1.532711  -3  3  3    2   60.3420  1.532716   -0.0003 -0.000006
   64.8067 1.437485  -3  2  6    2   64.8053  1.437512   -0.0014 -0.000027
   67.1307 1.393253   4  2  2    2   67.1297  1.393271   -0.0010 -0.000018
   79.0734 1.210084  -6  1  7    2   79.0738  1.210080    0.0004  0.000005

 rmse = 0.00003202352
 
     A =8.8892(4)              B =5.6296(3)               C =10.1554(4)          
 Alpha =90                  Beta =115.410(2)          Gamma =90                  
 
 Volume = 459.04(2)