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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040089
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.7202 5.015952  -1  0  2    2   17.7174  5.016743   -0.0028 -0.000791
   22.1884 4.012514   2  0  0    2   22.1844  4.013222   -0.0040 -0.000708
   25.5916 3.485010  -2  1  1    2   25.5859  3.485777   -0.0057 -0.000767
   26.2279 3.401717   1  0  2    2   26.2271  3.401820   -0.0008 -0.000103
   27.8703 3.204490   2  0  1    2   27.8606  3.205586   -0.0097 -0.001096
   29.2389 3.057263   0  0  3    2   29.2391  3.057240    0.0002  0.000022
   30.8968 2.896604  -1  1  3    2   30.8942  2.896842   -0.0026 -0.000238
   31.8701 2.810182   0  2  0    2   31.8733  2.809910    0.0032  0.000271
   32.1693 2.784681   2  1  1    2   32.1720  2.784453    0.0027  0.000229
   33.3848 2.685859   0  1  3    2   33.3885  2.685567    0.0037  0.000292
   33.8174 2.652429   1  2  0    2   33.8219  2.652090    0.0045  0.000340
   34.5579 2.597182  -3  1  1    2   34.5569  2.597259   -0.0010 -0.000076
   35.5123 2.529435   2  0  2    2   35.5148  2.529264    0.0025  0.000170
   36.6779 2.451565  -1  2  2    2   36.6781  2.451552    0.0002  0.000013
   42.9840 2.104928  -2  2  3    2   42.9855  2.104856    0.0015  0.000072
   43.7729 2.068757   0  2  3    2   43.7713  2.068827   -0.0016 -0.000070
   45.1974 2.006733   4  0  0    2   45.2003  2.006611    0.0029  0.000122
   66.5493 1.404938   0  4  0    2   66.5484  1.404955   -0.0009 -0.000017
   67.2372 1.392215   4  2  2    2   67.2366  1.392226   -0.0006 -0.000012

 rmse = 0.00002856533
 
     A =     8.8881(7)         B =     5.6198(1)          C =    10.1564(8)      
 Alpha =    90.             Beta =   115.438(6)       Gamma =    90.             
 
 Volume =    458.12(4)