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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050518
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.056
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.7222 6.034847   1  1  0    2   14.7288  6.032148    0.0066  0.002699
   18.5541 4.792467   0  0  1    2   18.5553  4.792170    0.0012  0.000297
   23.2418 3.833049   0  2  0    2   23.2405  3.833264   -0.0013 -0.000215
   29.6547 3.015554   2  2  0    2   29.6495  3.016074   -0.0052 -0.000520
   29.8794 2.993343   0  2  1    2   29.8786  2.993420   -0.0008 -0.000077
   36.8066 2.443466   4  0  0    2   36.8076  2.443402    0.0010  0.000064
   38.6986 2.328072   4  1  0    2   38.6994  2.328025    0.0008  0.000048
   43.2034 2.094869  -4  1  1    2   43.2034  2.094870    0.0000 -0.000002
   44.2452 2.047867  -2  3  1    2   44.2453  2.047864    0.0001  0.000003
   47.4477 1.916682   0  4  0    2   47.4490  1.916632    0.0013  0.000050
   76.7741 1.241211   6  4  0    2   76.7738  1.241214   -0.0003 -0.000003

 rmse = 0.00001893596
 
     A =     9.7736(2)         B =     7.6665(2)          C =     4.7921(7)      
 Alpha =    90.             Beta =    90.062(8)       Gamma =    90.             
 
 Volume =    359.07(5)