******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060905
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.028
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1087 7.978391  -1  0  1    2   11.1143  7.974409    0.0056  0.003982
   17.5872 5.046616  -1  0  2    2   17.6008  5.042727    0.0136  0.003889
   19.0811 4.654159   1  1  0    2   19.0851  4.653180    0.0040  0.000979
   22.0736 4.028692   2  0  0    2   22.0719  4.029003   -0.0017 -0.000311
   22.2949 3.989150  -2  0  2    2   22.3059  3.987204    0.0110  0.001946
   25.4282 3.503712  -2  1  1    2   25.4186  3.505016   -0.0096 -0.001303
   25.9082 3.439807   1  0  2    2   25.9179  3.438545    0.0097  0.001261
   31.3903 2.849906   0  2  0    2   31.3920  2.849752    0.0017  0.000155
   32.9762 2.716264   0  1  3    2   32.9743  2.716413   -0.0019 -0.000150
   34.3996 2.606964  -3  1  1    2   34.3937  2.607400   -0.0059 -0.000435
   35.1359 2.553957   2  0  2    2   35.1470  2.553173    0.0111  0.000785
   36.2049 2.480904  -1  2  2    2   36.2036  2.480990   -0.0013 -0.000086
   37.0357 2.427094   0  2  2    2   37.0277  2.427597   -0.0080 -0.000503
   37.3165 2.409459  -3  1  3    2   37.3235  2.409023    0.0070  0.000437
   41.6596 2.167583  -4  0  1    2   41.6557  2.167777   -0.0039 -0.000194
   43.1880 2.094298   0  2  3    2   43.1761  2.094850   -0.0119 -0.000552
   65.4727 1.424948   0  4  0    2   65.4764  1.424876    0.0037  0.000072

 rmse = 0.00006487946
 
     A =8.891(1)               B =5.6995(3)               C =10.228(2)           
 Alpha =90                  Beta =114.99(1)           Gamma =90                  
 
 Volume = 469.72(9)