******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050283
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.225
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.6945 6.568039   2  0  0    2   13.6836  6.573321   -0.0109 -0.005282
   17.4900 5.131777   2  1  0    2   17.4914  5.131369    0.0014  0.000408
   18.9313 4.739512  -2  0  2    2   18.9192  4.742543   -0.0121 -0.003030
   23.2083 3.866307   3  1  0    2   23.2101  3.866004    0.0018  0.000302
   24.9845 3.592827  -4  0  1    2   24.9929  3.591632    0.0084  0.001195
   27.3249 3.287627   4  0  0    2   27.3330  3.286660    0.0081  0.000966
   30.0231 2.995795   3  2  0    2   30.0215  2.995957   -0.0016 -0.000162
   31.6902 2.840771   0  1  3    2   31.6943  2.840408    0.0041  0.000363
   32.7184 2.753190   4  0  1    2   32.7121  2.753709   -0.0063 -0.000519
   37.8504 2.388621  -6  0  2    2   37.8488  2.388722   -0.0016 -0.000101

 rmse = 0.00004869164
 
     A =14.383(2)              B =8.210(3)                C =9.936(2)            
 Alpha =90                  Beta =113.93(2)           Gamma =90                  
 
 Volume = 1072.5(0)