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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050052
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.5071 5.380331   1  1  0    2   16.5084  5.379917    0.0013  0.000415
   23.3678 3.810851   1  1  1    2   23.3709  3.810346    0.0031  0.000505
   24.5990 3.622483   1  2  0    2   24.6091  3.621021    0.0101  0.001462
   25.6244 3.479546   2  0  0    2   25.6216  3.479921   -0.0028 -0.000374
   26.7631 3.333780   0  2  1    2   26.7591  3.334273   -0.0040 -0.000494
   27.7353 3.218900   2  1  0    2   27.7310  3.219395   -0.0043 -0.000495
   29.7324 3.006751   1  2  1    2   29.7298  3.007010   -0.0026 -0.000260
   32.3930 2.765264   2  1  1    2   32.3973  2.764905    0.0043  0.000358
   33.2151 2.698583   0  0  2    2   33.2135  2.698707   -0.0016 -0.000124
   34.2474 2.619459   1  3  0    2   34.2542  2.618952    0.0068  0.000507
   37.3637 2.407567   2  2  1    2   37.3643  2.407531    0.0006  0.000036
   39.5921 2.276888   0  2  2    2   39.5959  2.276679    0.0038  0.000209
   41.7572 2.163572   1  2  2    2   41.7516  2.163849   -0.0056 -0.000277
   46.0015 1.973145   0  4  1    2   45.9983  1.973274   -0.0032 -0.000129
   48.4345 1.879467   1  3  2    2   48.4352  1.879442    0.0007  0.000025
   50.9250 1.793159   3  3  0    2   50.9206  1.793306   -0.0044 -0.000146
   55.4772 1.656192   0  2  3    2   55.4766  1.656209   -0.0006 -0.000016
   62.1323 1.493685   3  3  2    2   62.1358  1.493609    0.0035  0.000077

 rmse = 0.00003752735
 
     A =     6.9598(5)         B =     8.4801(6)          C =     5.3974(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    318.55(2)