******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050669
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.084
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.9632 7.443974   1  0  1    2   11.9839  7.431067    0.0207  0.012907
   17.6476 5.045430   2  0  1    2   17.6576  5.042569    0.0100  0.002861
   21.4513 4.155071   2  1  0    2   21.4472  4.155861   -0.0041 -0.000790
   23.4202 3.808762   2  1  1    2   23.4206  3.808694    0.0004  0.000067
   25.3822 3.517640   1  1  2    2   25.3839  3.517402    0.0017  0.000238
   28.9016 3.095539   3  1  1    2   28.8934  3.096403   -0.0082 -0.000864
   29.3810 3.045966   3  0  2    2   29.3834  3.045718    0.0024  0.000248
   30.8301 2.905626   0  2  0    2   30.8286  2.905761   -0.0015 -0.000134
   33.9314 2.646148   4  1  0    2   33.9264  2.646527   -0.0050 -0.000379
   40.8950 2.209266   2  0  4    2   40.8940  2.209317   -0.0010 -0.000051
   41.6823 2.169253   4  0  3    2   41.6804  2.169347   -0.0019 -0.000094
   43.0654 2.102597   3  2  2    2   43.0692  2.102421    0.0038  0.000176
   45.8273 1.981861   6  0  0    2   45.8295  1.981771    0.0022  0.000091

 rmse = 0.00003798617
 
     A =    11.8906(8)         B =     5.8115(6)          C =     9.5189(9)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    657.78(8)