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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050561
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.024
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.9748 5.551640   1  1  0    2   15.9813  5.549386    0.0065  0.002254
   22.6443 3.927594   1  1  1    2   22.6444  3.927582    0.0001  0.000012
   25.2805 3.523300   1  2  0    2   25.2758  3.523946   -0.0047 -0.000645
   25.4742 3.496922   2  1  0    2   25.4832  3.495705    0.0090  0.001217
   36.3862 2.468676   3  1  0    2   36.3880  2.468555    0.0018  0.000121
   37.7968 2.379663   0  3  1    2   37.7888  2.380151   -0.0080 -0.000488
   38.2223 2.354129   3  0  1    2   38.2217  2.354161   -0.0006 -0.000033
   39.9459 2.256374   3  1  1    2   39.9501  2.256146    0.0042  0.000228
   45.9358 1.974963   0  4  0    2   45.9277  1.975294   -0.0081 -0.000330
   46.5807 1.949097   4  0  0    2   46.5837  1.948980    0.0030  0.000117
   48.0660 1.892248   4  1  0    2   48.0656  1.892262   -0.0004 -0.000014
   49.0454 1.856709   1  3  2    2   49.0416  1.856843   -0.0038 -0.000134
   50.9580 1.791386   4  1  1    2   50.9593  1.791342    0.0013  0.000044
   53.3444 1.716700   2  3  2    2   53.3507  1.716512    0.0063  0.000188
   54.6277 1.679348   2  4  1    2   54.6176  1.679636   -0.0101 -0.000288
   57.7485 1.595756   4  0  2    2   57.7461  1.595816   -0.0024 -0.000059
   59.6676 1.548912   1  5  0    2   59.6750  1.548738    0.0074  0.000174
   60.4910 1.529775   5  1  0    2   60.4950  1.529684    0.0040  0.000091
   70.1944 1.340099   5  1  2    2   70.1903  1.340167   -0.0041 -0.000068
   72.1023 1.309248   3  3  3    2   72.1058  1.309194    0.0035  0.000054
   76.2746 1.247654   2  6  0    2   76.2791  1.247591    0.0045  0.000063
   77.2550 1.234244   6  2  0    2   77.2525  1.234277   -0.0025 -0.000033
   87.2082 1.117126   1  7  0    2   87.2116  1.117091    0.0034  0.000035
   89.4178 1.095150   1  7  1    2   89.4125  1.095201   -0.0053 -0.000051

 rmse = 0.00005950957
 
     A =7.7959(2)              B =7.9012(2)               C =5.5595(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 342.45(3)