******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050327
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7528 5.640565   0  1  1    2   15.7519  5.640872   -0.0009 -0.000308
   17.1059 5.195874   0  2  0    2   17.1129  5.193769    0.0070  0.002105
   19.5467 4.550390   1  1  1    2   19.5476  4.550179    0.0009  0.000211
   23.1404 3.849518   2  0  0    2   23.1416  3.849321    0.0012  0.000197
   26.5718 3.358642   0  0  2    2   26.5702  3.358840   -0.0016 -0.000198
   26.7214 3.340138   2  0  1    2   26.7236  3.339864    0.0022  0.000275
   28.0929 3.179791   2  1  1    2   28.0950  3.179556    0.0021  0.000235
   31.3201 2.858537   1  3  1    2   31.3281  2.857824    0.0080  0.000713
   33.8880 2.647217   1  2  2    2   33.8737  2.648307   -0.0143 -0.001090
   34.8808 2.573991   2  3  0    2   34.8766  2.574289   -0.0042 -0.000298
   42.9694 2.105709   1  1  3    2   42.9741  2.105491    0.0047  0.000218
   52.8921 1.731260   0  6  0    2   52.8922  1.731256    0.0001  0.000004

 rmse = 0.00004993700
 
     A =     7.698(1)          B =    10.3875(7)          C =     6.7176(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    537.2(1)