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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060061
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.9135 4.467225   0  2  0    2   19.9115  4.467673   -0.0020 -0.000448
   26.6459 3.349486   0  2  1    2   26.6471  3.349336    0.0012  0.000150
   27.5797 3.237934   2  2  0    2   27.5844  3.237394    0.0047  0.000541
   29.8678 2.994427  -2  2  1    2   29.8745  2.993772    0.0067  0.000655
   30.2690 2.955572   3  1  0    2   30.2695  2.955528    0.0005  0.000044
   30.8962 2.896880  -3  1  1    2   30.9012  2.896424    0.0050  0.000456
   34.9647 2.568017  -1  3  1    2   34.9668  2.567866    0.0021  0.000151
   39.0656 2.306979   3  1  1    2   39.0603  2.307282   -0.0053 -0.000303
   40.6555 2.220231   1  1  2    2   40.6597  2.220012    0.0042  0.000219
   41.0152 2.201560   0  2  2    2   41.0100  2.201829   -0.0052 -0.000269
   41.8728 2.158371   3  3  0    2   41.8750  2.158262    0.0022  0.000109
   42.3547 2.134890  -3  3  1    2   42.3540  2.134922   -0.0007 -0.000032
   42.8759 2.110104  -4  2  1    2   42.8800  2.109909    0.0041  0.000194
   44.3408 2.043644   0  4  1    2   44.3414  2.043619    0.0006  0.000025
   49.5909 1.838635   5  1  0    2   49.5843  1.838864   -0.0066 -0.000230
   52.1103 1.755416   1  5  0    2   52.1046  1.755594   -0.0057 -0.000178
   61.5972 1.505610  -1  3  3    2   61.5950  1.505659   -0.0022 -0.000049
   65.4750 1.425430   5  3  1    2   65.4763  1.425405    0.0013  0.000025
   76.1266 1.250148   3  5  2    2   76.1297  1.250105    0.0031  0.000044

 rmse = 0.00004246487
 
     A =9.7636(6)              B =8.9353(4)               C =5.2593(3)           
 Alpha =90                  Beta =105.784(6)          Gamma =90                  
 
 Volume = 441.52(3)