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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060001
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.077
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.4383 7.154546   2  0  0    2   12.4342  7.156932   -0.0041 -0.002386
   30.0666 2.977151   3  1  1    2   30.0721  2.976615    0.0055  0.000535
   31.2085 2.870503   0  2  0    2   31.2003  2.871239   -0.0082 -0.000736
   35.3067 2.545403   0  0  2    2   35.3191  2.544536    0.0124  0.000867
   35.9551 2.500874   0  2  1    2   35.9579  2.500686    0.0028  0.000188
   37.7531 2.385555   6  0  0    2   37.7516  2.385644   -0.0015 -0.000089
   40.2160 2.244675   3  0  2    2   40.2060  2.245209   -0.0100 -0.000534
   40.7855 2.214577   3  2  1    2   40.7791  2.214912   -0.0064 -0.000335
   43.3073 2.091053   3  1  2    2   43.3071  2.091063   -0.0002 -0.000010
   44.2235 2.049758   4  2  1    2   44.2229  2.049782   -0.0006 -0.000025
   47.7971 1.904262   0  2  2    2   47.7951  1.904336   -0.0020 -0.000074
   49.7131 1.835149   6  2  0    2   49.7198  1.834918    0.0067  0.000231
   51.4582 1.776844   3  3  0    2   51.4680  1.776527    0.0098  0.000317
   52.6167 1.740359   6  0  2    2   52.6164  1.740368   -0.0003 -0.000009
   60.1042 1.539930   3  1  3    2   60.1093  1.539810    0.0051  0.000120
   62.4218 1.488136   6  2  2    2   62.4138  1.488308   -0.0080 -0.000171
   63.3996 1.467491   9  1  1    2   63.3938  1.467612   -0.0058 -0.000120
   67.8413 1.381704   0  4  1    2   67.8418  1.381695    0.0005  0.000010
   85.3421 1.137292   9  1  3    2   85.3447  1.137264    0.0026  0.000028
   88.7146 1.102528   9  3  2    2   88.7182  1.102492    0.0036  0.000036
   89.4024 1.095812   0  4  3    2   89.3979  1.095856   -0.0045 -0.000043

 rmse = 0.00006612146
 
     A =14.3139(7)             B =5.7425(3)               C =5.0891(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 418.31(2)