******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R061027
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.008
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1761 7.267735   1  1  0    2   12.1843  7.262843    0.0082  0.004892
   14.0799 6.288459   0  2  0    2   14.0801  6.288369    0.0002  0.000090
   14.9260 5.933645   0  0  1    2   14.9332  5.930801    0.0072  0.002844
   16.5181 5.364859   0  1  1    2   16.5199  5.364271    0.0018  0.000588
   17.2659 5.134041   1  2  0    2   17.2626  5.135019   -0.0033 -0.000977
   19.9550 4.447560   2  0  0    2   19.9527  4.448073   -0.0023 -0.000513
   20.5757 4.314719   0  2  1    2   20.5764  4.314583    0.0007  0.000136
   20.8759 4.253322  -1  2  1    2   20.8796  4.252583    0.0037  0.000739
   21.4693 4.137039   1  1  1    2   21.4725  4.136424    0.0032  0.000615
   22.3300 3.979429  -2  1  1    2   22.3355  3.978458    0.0055  0.000971
   23.4512 3.791582   1  3  0    2   23.4469  3.792266   -0.0043 -0.000684
   24.7643 3.593366   1  2  1    2   24.7588  3.594153   -0.0055 -0.000787
   26.0209 3.422560   0  3  1    2   26.0148  3.423353   -0.0061 -0.000793
   26.2621 3.391661  -1  3  1    2   26.2584  3.392135   -0.0037 -0.000474
   29.6919 3.007116  -1  1  2    2   29.6885  3.007452   -0.0034 -0.000336
   30.3248 2.945765  -3  1  1    2   30.3327  2.945015    0.0079  0.000750
   32.8009 2.728772  -3  2  1    2   32.7970  2.729092   -0.0039 -0.000320
   35.1032 2.554853   1  4  1    2   35.1120  2.554235    0.0088  0.000618
   36.5763 2.455244  -3  3  1    2   36.5751  2.455321   -0.0012 -0.000077
   43.1198 2.096528   4  2  0    2   43.1147  2.096762   -0.0051 -0.000234
   51.8620 1.761750   5  1  0    2   51.8640  1.761688    0.0020  0.000063

 rmse = 0.00003524547
 
     A =9.3007(5)              B =12.577(2)               C =6.2005(9)           
 Alpha =90                  Beta =106.96(1)           Gamma =90                  
 
 Volume = 693.7(1)