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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050434
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.010
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.1840 4.002124   1  0  1    2   22.1929  4.000536    0.0089  0.001589
   26.0492 3.416610   2  0  1    2   26.0598  3.415246    0.0106  0.001364
   43.0258 2.100063   1  0  2    2   43.0196  2.100350   -0.0062 -0.000287
   44.2723 2.043797   4  1  1    2   44.2610  2.044292   -0.0113 -0.000495
   45.1442 2.006338   5  0  1    2   45.1510  2.006052    0.0068  0.000286
   50.6976 1.798864   5  1  1    2   50.6981  1.798845    0.0005  0.000018
   52.8351 1.731026   6  0  1    2   52.8368  1.730973    0.0017  0.000053
   53.3343 1.715997   6  1  0    2   53.3310  1.716096   -0.0033 -0.000098
   68.2693 1.372537   3  2  2    2   68.2720  1.372489    0.0027  0.000048

 rmse = 0.00007389914
 
     A =    11.3589(9)         B =     4.0640(8)          C =     4.2744(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    197.32(3)