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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050475_Stitchtite
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.417
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4570 4.052649   0  0  6    2   10.3682  4.088727   -0.0888 -0.036077
   15.7258 2.662407   0  1  2    2   15.7404  2.659887    0.0146  0.002520
   17.4719 2.391550   0  1  5    2   17.5404  2.382060    0.0685  0.009490
   20.4752 2.036356   0  1  8    2   20.4704  2.036843   -0.0048 -0.000487
   26.5074 1.571107   1  1  0    2   26.4735  1.573118   -0.0339 -0.002011
   26.9605 1.544757   1  1  3    2   26.9599  1.544793   -0.0006 -0.000036
   31.7527 1.313154   2  0  5    2   31.7639  1.312696    0.0112  0.000457

 rmse = 0.00093948821
 
     A =3.146(2)               B =3.146(2)                C =24.53(9)            
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 210.3(7)