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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050016
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.047
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7268 5.646822   2  0  0    2   15.7214  5.648746   -0.0054 -0.001924
   17.6035 5.047222   2  0  1    2   17.6074  5.046124    0.0039  0.001098
   22.3640 3.980206   2  0  2    2   22.3543  3.981914   -0.0097 -0.001707
   25.8051 3.455759   1  1  1    2   25.8078  3.455404    0.0027  0.000355
   29.3071 3.049640   1  1  2    2   29.3109  3.049257    0.0038  0.000383
   32.4286 2.762439   2  1  2    2   32.4301  2.762313    0.0015  0.000126
   33.4735 2.678437   0  1  3    2   33.4717  2.678579   -0.0018 -0.000142
   35.5926 2.523466   4  0  2    2   35.5985  2.523062    0.0059  0.000403
   40.4851 2.228731   4  1  1    2   40.4808  2.228960   -0.0043 -0.000229

 rmse = 0.00003937188
 
     A =    11.297(1)          B =     3.8352(7)          C =    11.227(3)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    486.4(1)