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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050073
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1350 7.971479   1  1  0    2   11.1245  7.979007   -0.0105 -0.007528
   13.2112 6.718763   0  2  0    2   13.2145  6.717107    0.0033  0.001656
   20.2158 4.398641  -1  1  1    2   20.2222  4.397260    0.0064  0.001381
   26.5608 3.358735   0  4  0    2   26.5623  3.358554    0.0015  0.000181
   27.6753 3.225736  -1  3  1    2   27.6665  3.226747   -0.0088 -0.001011
   32.7033 2.739683   2  2  1    2   32.7020  2.739786   -0.0013 -0.000104
   33.0619 2.710741   0  4  1    2   33.0662  2.710402    0.0043  0.000339
   35.2181 2.549349  -2  4  1    2   35.2185  2.549317    0.0004  0.000031
   43.4047 2.085098   3  5  0    2   43.4056  2.085056    0.0009  0.000042
   54.6516 1.679260   0  8  0    2   54.6510  1.679277   -0.0006 -0.000017

 rmse = 0.00003459371
 
     A =    10.273(2)          B =    13.4342(6)          C =     4.7543(9)      
 Alpha =    90.             Beta =   105.11(2)        Gamma =    90.             
 
 Volume =    633.4(1)