******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060225
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9789 9.902837   0  0  1    2    8.9911  9.889334    0.0122  0.013503
   17.9827 4.944093   0  0  2    2   17.9806  4.944667   -0.0021 -0.000574
   19.8370 4.484600   0  2  0    2   19.8355  4.484927   -0.0015 -0.000327
   20.0432 4.438796   1  1  0    2   20.0375  4.440047   -0.0057 -0.001251
   20.6316 4.313166  -1  1  1    2   20.6353  4.312406    0.0037  0.000760
   21.7939 4.085095   0  2  1    2   21.7970  4.084517    0.0031  0.000579
   23.2523 3.831445   1  1  1    2   23.2537  3.831215    0.0014  0.000230
   24.7803 3.598003  -1  1  2    2   24.7842  3.597450    0.0039  0.000553
   27.0850 3.296207   0  0  3    2   27.0830  3.296445   -0.0020 -0.000238
   29.1021 3.071723   1  1  2    2   29.1019  3.071748   -0.0002 -0.000025
   31.1716 2.871975  -1  1  3    2   31.1689  2.872219   -0.0027 -0.000244
   33.7735 2.656059   0  2  3    2   33.7723  2.656150   -0.0012 -0.000091
   45.8961 1.977909   0  0  5    2   45.8971  1.977867    0.0010  0.000042

 rmse = 0.00002062713
 
     A =5.1962(6)              B =8.970(1)                C =10.0561(4)          
 Alpha =90                  Beta =100.449(7)          Gamma =90                  
 
 Volume = 460.93(6)