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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060044
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4044 8.507272   1  1  0    2   10.4038  8.507737   -0.0006 -0.000465
   18.4419 4.810761   2  0  0    2   18.4393  4.811423   -0.0026 -0.000662
   19.4981 4.552287   0  4  0    2   19.4998  4.551905    0.0017  0.000382
   26.1270 3.409732   1  3  1    2   26.1318  3.409119    0.0048  0.000614
   26.9549 3.306798   2  4  0    2   26.9563  3.306623    0.0014  0.000174
   28.2409 3.158993   3  1  0    2   28.2411  3.158970    0.0002  0.000023
   31.5383 2.835675   3  3  0    2   31.5356  2.835912   -0.0027 -0.000238
   32.3686 2.764773  -3  3  1    2   32.3705  2.764616    0.0019  0.000157
   32.8120 2.728401   1  5  1    2   32.8086  2.728678   -0.0034 -0.000277
   34.2833 2.614550   0  6  1    2   34.2834  2.614547    0.0001  0.000004
   35.0130 2.561691  -2  0  2    2   35.0123  2.561740   -0.0007 -0.000049
   55.1245 1.665116   4  6  1    2   55.1249  1.665106    0.0004  0.000010

 rmse = 0.00001843953
 
     A =9.9593(6)              B =18.208(1)               C =5.3306(4)           
 Alpha =90                  Beta =104.935(5)          Gamma =90                  
 
 Volume = 933.97(6)