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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070593
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.013
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.1628 3.404961  -1  1  1    2   26.1587  3.405483   -0.0041 -0.000523
   33.9519 2.639211   0  2  0    2   33.9460  2.639655   -0.0059 -0.000444
   35.5409 2.524727   1  1  1    2   35.5474  2.524281    0.0065  0.000446
   39.6679 2.270961  -1  2  1    2   39.6641  2.271172   -0.0038 -0.000212
   40.4546 2.228581  -2  0  2    2   40.4592  2.228340    0.0046  0.000241
   51.2371 1.781927   0  2  2    2   51.2371  1.781927    0.0000  0.000000
   53.8030 1.702822  -2  2  2    2   53.8057  1.702742    0.0027  0.000080
   56.1657 1.636645  -1  3  1    2   56.1603  1.636790   -0.0054 -0.000145
   61.7682 1.500924   1  3  1    2   61.7740  1.500797    0.0058  0.000127
   64.8408 1.437010   2  0  2    2   64.8383  1.437058   -0.0025 -0.000048
   85.4364 1.135591  -2  4  2    2   85.4368  1.135586    0.0004  0.000005
   87.4881 1.114161  -4  0  4    2   87.4872  1.114170   -0.0009 -0.000009

 rmse = 0.00005199833
 
     A =5.3033(9)              B =5.2793(2)               C =5.3029(8)           
 Alpha =90                  Beta =114.364(3)          Gamma =90                  
 
 Volume = 135.246(8)