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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040010
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.064
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4896 8.478042   1  1  0    2   10.4956  8.473156    0.0060  0.004886
   19.6293 4.533411   0  4  0    2   19.6344  4.532231    0.0051  0.001180
   26.2570 3.399407   1  3  1    2   26.2579  3.399287    0.0009  0.000120
   27.1140 3.293621   2  4  0    2   27.1205  3.292846    0.0065  0.000775
   28.4033 3.146640   3  1  0    2   28.4062  3.146325    0.0029  0.000315
   30.2911 2.954282   2  2  1    2   30.2902  2.954367   -0.0009 -0.000085
   31.7144 2.824601   3  3  0    2   31.7169  2.824385    0.0025  0.000216
   32.4752 2.760014  -3  3  1    2   32.4777  2.759804    0.0025  0.000210
   32.9750 2.719232   1  5  1    2   32.9730  2.719397   -0.0020 -0.000164
   34.4547 2.605545   0  6  1    2   34.4455  2.606219   -0.0092 -0.000674
   35.0107 2.565354  -2  0  2    2   35.0114  2.565302    0.0007  0.000052
   44.0676 2.056075   2  0  2    2   44.0754  2.055728    0.0078  0.000348
   44.4333 2.039974  -4  0  2    2   44.4290  2.040163   -0.0043 -0.000189
   44.7498 2.026257   3  5  1    2   44.7418  2.026601   -0.0080 -0.000344
   55.4306 1.657999   4  6  1    2   55.4274  1.658086   -0.0032 -0.000088
   56.6808 1.624318   1 11  0    2   56.6835  1.624246    0.0027  0.000072
   64.2381 1.450056  -6  6  1    2   64.2402  1.450013    0.0021  0.000043

 rmse = 0.00004702829
 
     A =     9.9293(6)         B =    18.128(1)           C =     5.3364(5)      
 Alpha =    90.             Beta =   105.145(6)       Gamma =    90.             
 
 Volume =    927.24(9)