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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060195
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.1108 4.212234   1  1  0    2   21.1149  4.211422    0.0041  0.000812
   26.2642 3.395083   1  1  1    2   26.2584  3.395821   -0.0058 -0.000738
   27.2617 3.272910   0  2  1    2   27.2577  3.273383   -0.0040 -0.000472
   31.1659 2.870744   0  0  2    2   31.1661  2.870723    0.0002  0.000021
   33.1810 2.700666   0  1  2    2   33.1791  2.700814   -0.0019 -0.000148
   37.3138 2.410191   0  3  1    2   37.3047  2.410756   -0.0091 -0.000565
   37.9345 2.372131   1  1  2    2   37.9358  2.372053    0.0013  0.000077
   38.4470 2.341650   1  3  0    2   38.4462  2.341696   -0.0008 -0.000046
   41.2411 2.189082   2  1  1    2   41.2353  2.189375   -0.0058 -0.000293
   42.9412 2.106192   2  2  0    2   42.9515  2.105711    0.0103  0.000481
   45.8944 1.977187   2  2  1    2   45.9003  1.976945    0.0059  0.000242
   50.2757 1.814543   1  3  2    2   50.2751  1.814563   -0.0006 -0.000020
   52.5113 1.742376   1  1  3    2   52.5123  1.742346    0.0010  0.000030
   53.9891 1.698087   2  2  2    2   53.9952  1.697911    0.0061  0.000176
   61.8646 1.499339   2  4  1    2   61.8647  1.499337    0.0001  0.000002
   69.1197 1.358521   1  1  4    2   69.1140  1.358619   -0.0057 -0.000098
   70.9345 1.328131   0  6  0    2   70.9347  1.328128    0.0002  0.000003
   75.3378 1.261017   3  3  2    2   75.3321  1.261099   -0.0057 -0.000082
   78.0485 1.223839   1  3  4    2   78.0544  1.223761    0.0059  0.000078

 rmse = 0.00005729934
 
     A =4.9608(3)              B =7.9688(4)               C =5.7414(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 226.97(1)