******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050453
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.084
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.576310.403395   0  0  2    2    8.5821 10.396352    0.0058  0.007043
   16.5338 5.384363   4  0  2    2   16.5364  5.383508    0.0026  0.000855
   17.1232 5.199417   0  0  4    2   17.1273  5.198176    0.0041  0.001241
   18.4084 4.837545  -4  0  4    2   18.4042  4.838641   -0.0042 -0.001096
   23.3925 3.813175   4  0  4    2   23.3928  3.813127    0.0003  0.000048
   24.4349 3.652251   8  0  0    2   24.4309  3.652848   -0.0040 -0.000597
   27.2307 3.282123   2  1  3    2   27.2307  3.282123    0.0000  0.000000
   27.8775 3.207195   8  0  2    2   27.8789  3.207041    0.0014  0.000154
   31.2414 2.868173   4  0  6    2   31.2404  2.868259   -0.0010 -0.000087
   36.7254 2.450508 -12  0  4    2   36.7263  2.450447    0.0009  0.000061

 rmse = 0.00001720767
 
     A =    30.160(1)          B =     4.0018(6)          C =    21.460(2)       
 Alpha =    90.             Beta =   104.326(6)       Gamma =    90.             
 
 Volume =   2509.6(4)