******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050424
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.001
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.0916 5.183383   0  2  0    2   17.0926  5.183093    0.0010  0.000290
   20.7026 4.286747   1  1  0    2   20.7164  4.283915    0.0138  0.002832
   22.6005 3.930882   0  2  1    2   22.5974  3.931409   -0.0031 -0.000527
   23.9711 3.709144   1  0  1    2   23.9667  3.709810   -0.0044 -0.000667
   25.4864 3.491952   1  1  1    2   25.4796  3.492872   -0.0068 -0.000920
   32.1135 2.784869   1  3  0    2   32.1131  2.784899   -0.0004 -0.000030
   35.4703 2.528636   1  3  1    2   35.4723  2.528495    0.0020  0.000140
   39.2291 2.294576   2  1  0    2   39.2412  2.293899    0.0121  0.000678
   39.6781 2.269640   1  4  0    2   39.6731  2.269916   -0.0050 -0.000276
   49.0821 1.854532   2  0  2    2   49.0716  1.854905   -0.0105 -0.000373
   52.3425 1.746428   2  2  2    2   52.3422  1.746436   -0.0003 -0.000008
   56.3834 1.630472   1  3  3    2   56.3884  1.630339    0.0050  0.000132

 rmse = 0.00006713793
 
     A =4.7044(6)              B =10.366(2)               C =6.0329(9)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 294.20(5)