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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050400
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1254 7.965257   1  1  0    2   11.1380  7.956256    0.0126  0.009001
   14.4539 6.134239   1  1  1    2   14.4527  6.134749   -0.0012 -0.000510
   19.5529 4.542371   0  1  2    2   19.5503  4.542959   -0.0026 -0.000588
   20.3569 4.364514   2  0  1    2   20.3631  4.363197    0.0062  0.001318
   20.5655 4.320656   1  0  2    2   20.5588  4.322042   -0.0067 -0.001386
   21.3898 4.155769   2  1  1    2   21.3868  4.156337   -0.0030 -0.000568
   22.3585 3.977646   2  2  0    2   22.3558  3.978128   -0.0027 -0.000482
   22.5978 3.936013   0  2  2    2   22.5944  3.936602   -0.0034 -0.000589
   24.3798 3.651889   1  2  2    2   24.3772  3.652266   -0.0026 -0.000377
   26.0890 3.416142   0  4  0    2   26.0967  3.415153    0.0077  0.000989
   28.1137 3.174316   3  1  0    2   28.1228  3.173309    0.0091  0.001007
   28.8938 3.090284   3  0  1    2   28.8948  3.090177    0.0010  0.000106
   31.7916 2.814670   3  2  1    2   31.7827  2.815442   -0.0089 -0.000773
   32.1315 2.785642   1  2  3    2   32.1272  2.786002   -0.0043 -0.000360
   32.6597 2.741750   2  3  2    2   32.6658  2.741248    0.0061  0.000502
   35.7402 2.512003   3  2  2    2   35.7404  2.511988    0.0002  0.000015
   35.9336 2.498915   2  2  3    2   35.9351  2.498816    0.0015  0.000100
   36.7206 2.447106   4  0  0    2   36.7235  2.446917    0.0029  0.000188
   39.6018 2.275334   1  4  3    2   39.6001  2.275430   -0.0017 -0.000096
   42.4472 2.129064   0  3  4    2   42.4470  2.129076   -0.0002 -0.000012
   42.8340 2.110717   2  4  3    2   42.8336  2.110737   -0.0004 -0.000020
   43.1822 2.094490   3  5  0    2   43.1785  2.094661   -0.0037 -0.000170
   45.6002 1.988827   4  4  0    2   45.5945  1.989064   -0.0057 -0.000238
   46.6496 1.946477   4  0  3    2   46.6535  1.946322    0.0039  0.000155
   49.9605 1.824893   1  6  3    2   49.9636  1.824786    0.0031  0.000108
   53.6534 1.707610   0  8  0    2   53.6545  1.707576    0.0011  0.000033
   55.9053 1.644011   1  7  3    2   55.9042  1.644039   -0.0011 -0.000029
   56.6715 1.623578   5  2  3    2   56.6715  1.623578    0.0000  0.000000

 rmse = 0.00003406577
 
     A =     9.7876(4)         B =    13.6606(5)          C =     9.6342(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1288.15(7)