******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050465
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.082
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.8654 5.610001   1  1  1    2   15.8705  5.608206    0.0051  0.001795
   17.2382 5.164081   2  0  0    2   17.2473  5.161351    0.0091  0.002730
   17.7385 5.018871   0  0  2    2   17.7421  5.017848    0.0036  0.001023
   19.7376 4.512709   1  0  2    2   19.7367  4.512914   -0.0009 -0.000205
   23.4704 3.800253   1  2  1    2   23.4695  3.800402   -0.0009 -0.000149
   26.4201 3.380965   2  2  0    2   26.4170  3.381350   -0.0031 -0.000385
   26.7591 3.338766   2  1  2    2   26.7633  3.338250    0.0042  0.000516
   28.1427 3.177207   1  2  2    2   28.1372  3.177817   -0.0055 -0.000610
   29.2530 3.058755   3  1  1    2   29.2512  3.058936   -0.0018 -0.000181
   38.9193 2.316831   3  1  3    2   38.9197  2.316810    0.0004  0.000021
   44.1504 2.053187   2  4  0    2   44.1522  2.053108    0.0018  0.000079
   45.2711 2.004838   1  4  2    2   45.2712  2.004833    0.0001  0.000005
   56.2845 1.635296   5  2  3    2   56.2807  1.635397   -0.0038 -0.000101
   58.2376 1.584940   2  3  5    2   58.2382  1.584924    0.0006  0.000015
   70.6007 1.334324   7  1  3    2   70.6021  1.334301    0.0014  0.000024

 rmse = 0.00002582686
 
     A =    10.3227(3)         B =     8.9510(4)          C =    10.0356(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    927.29(4)