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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060214
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.017
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.4436 7.117193   1  0  0    2   12.4464  7.115613    0.0028  0.001580
   13.5008 6.561442   0  2  1    2   13.4993  6.562178   -0.0015 -0.000737
   17.1230 5.179324   0  2  2    2   17.1216  5.179742   -0.0014 -0.000418
   18.3924 4.824286   1  2  1    2   18.3936  4.823965    0.0012  0.000321
   21.2148 4.187890   1  2  2    2   21.2157  4.187714    0.0009  0.000176
   24.3676 3.652325   0  0  4    2   24.3622  3.653125   -0.0054 -0.000800
   28.5245 3.128491   2  2  1    2   28.5319  3.127693    0.0074  0.000798
   30.0561 2.972374   1  2  4    2   30.0610  2.971904    0.0049  0.000470
   30.4716 2.932760   2  2  2    2   30.4728  2.932645    0.0012  0.000116
   32.9764 2.715376   0  2  5    2   32.9759  2.715415   -0.0005 -0.000039
   33.4891 2.674947   2  2  3    2   33.4810  2.675576   -0.0081 -0.000629
   34.6261 2.589625   0  4  4    2   34.6227  2.589871   -0.0034 -0.000246
   36.6913 2.448398   0  6  0    2   36.6953  2.448140    0.0040  0.000258
   39.3894 2.286605   0  4  5    2   39.3873  2.286720   -0.0021 -0.000115
   41.2492 2.187659   0  6  3    2   41.2544  2.187393    0.0052  0.000266
   43.1964 2.093407   2  4  4    2   43.1867  2.093857   -0.0097 -0.000449
   44.9155 2.017165   2  6  0    2   44.9240  2.016801    0.0085  0.000364
   48.4869 1.876548   0  6  5    2   48.4830  1.876689   -0.0039 -0.000141
   49.6303 1.835945   0  8  0    2   49.6257  1.836105   -0.0046 -0.000160
   49.8985 1.826700   0  0  8    2   49.9025  1.826563    0.0040  0.000137
   53.0068 1.726637   0  6  6    2   53.0087  1.726581    0.0019  0.000056

 rmse = 0.00004662540
 
     A =     7.116(1)        B =    14.6888(8)          C =    14.6125(9)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1527.3(2)