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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040161
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.020
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5391 7.675973   0  0  1    2   11.5363  7.677836   -0.0028 -0.001864
   11.7175 7.559298   1  1  0    2   11.7229  7.555809    0.0054  0.003489
   13.5927 6.518793  -1  1  1    2   13.5974  6.516543    0.0047  0.002249
   14.6910 6.033144   0  2  0    2   14.6909  6.033172   -0.0001 -0.000028
   17.3217 5.121258   1  2  0    2   17.3200  5.121744   -0.0017 -0.000487
   18.3121 4.846138   2  0  0    2   18.3145  4.845509    0.0024  0.000630
   18.9125 4.693457   1  1  1    2   18.9158  4.692656    0.0033  0.000801
   19.7450 4.497201   2  1  0    2   19.7481  4.496500    0.0031  0.000701
   22.9745 3.871253  -2  0  2    2   22.9736  3.871397   -0.0009 -0.000144
   23.1746 3.838247   0  0  2    2   23.1705  3.838918   -0.0041 -0.000671
   23.5497 3.777900   2  2  0    2   23.5497  3.777905    0.0000 -0.000004
   23.9551 3.714821   1  3  0    2   23.9548  3.714869   -0.0003 -0.000048
   25.8407 3.447650  -1  2  2    2   25.8380  3.447999   -0.0027 -0.000348
   26.4777 3.366070   2  1  1    2   26.4820  3.365536    0.0043  0.000534
   28.2703 3.156417   1  3  1    2   28.2683  3.156640   -0.0020 -0.000224
   28.5991 3.120845   3  1  0    2   28.6028  3.120451    0.0037  0.000394
   33.7463 2.655385  -3  3  1    2   33.7454  2.655454   -0.0009 -0.000070
   34.4496 2.602734  -2  4  1    2   34.4456  2.603027   -0.0040 -0.000292
   35.8987 2.500864  -3  3  2    2   35.9014  2.500683    0.0027  0.000180
   37.4052 2.403473   3  2  1    2   37.3998  2.403810   -0.0054 -0.000336
   39.1118 2.302385   0  5  1    2   39.1147  2.302223    0.0029  0.000162
   43.7186 2.069743  -2  1  4    2   43.7180  2.069769   -0.0006 -0.000026
   54.5132 1.682507   1  2  4    2   54.5143  1.682476    0.0011  0.000031

 rmse = 0.00002143334
 
     A =    10.6078(7)         B =    12.0663(6)          C =     8.4041(3)      
 Alpha =    90.             Beta =   113.996(4)       Gamma =    90.             
 
 Volume =    982.74(6)