******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070175
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.4033 7.780817   1  1  0    2   11.4068  7.778455    0.0035  0.002361
   16.9626 5.235101   1  2  0    2   16.9580  5.236499   -0.0046 -0.001398
   19.0897 4.655060   0  1  1    2   19.0958  4.653581    0.0061  0.001478
   21.7433 4.091512  -1  2  1    2   21.7511  4.090066    0.0078  0.001446
   23.9447 3.719465   1  1  1    2   23.9439  3.719591   -0.0008 -0.000126
   26.2171 3.401503  -3  1  1    2   26.2191  3.401248    0.0020  0.000255
   27.0929 3.293338   1  2  1    2   27.0959  3.292979    0.0030  0.000359
   27.5932 3.234663   3  1  0    2   27.5932  3.234668    0.0000 -0.000005
   28.1438 3.172528   2  3  0    2   28.1425  3.172676   -0.0013 -0.000148
   29.1480 3.065321  -2  3  1    2   29.1491  3.065208    0.0011  0.000113
   30.4861 2.933578   1  4  0    2   30.4904  2.933174    0.0043  0.000404
   32.6456 2.744044  -4  0  1    2   32.6372  2.744730   -0.0084 -0.000686
   33.3034 2.691267   2  2  1    2   33.3055  2.691104    0.0021  0.000163
   33.8073 2.652248  -1  1  2    2   33.8132  2.651800    0.0059  0.000449
   36.1851 2.483035  -1  2  2    2   36.1797  2.483393   -0.0054 -0.000359
   36.4761 2.463869   0  1  2    2   36.4807  2.463569    0.0046  0.000299
   37.7886 2.381162  -3  2  2    2   37.7821  2.381559   -0.0065 -0.000397
   38.8640 2.317644  -3  4  1    2   38.8615  2.317787   -0.0025 -0.000144
   39.8396 2.263051   3  4  0    2   39.8416  2.262941    0.0020  0.000109
   48.0464 1.893586   0  6  1    2   48.0401  1.893819   -0.0063 -0.000234
   48.4698 1.878015   3  4  1    2   48.4642  1.878218   -0.0056 -0.000203
   50.9873 1.790965  -5  4  1    2   50.9902  1.790870    0.0029  0.000095
   53.0406 1.726316   1  7  0    2   53.0430  1.726243    0.0024  0.000074
   56.0497 1.640491  -5  5  1    2   56.0529  1.640404    0.0032  0.000086
   58.7524 1.571250  -3  4  3    2   58.7532  1.571230    0.0008  0.000020

 rmse = 0.00003907097
 
     A =11.0319(7)             B =12.2656(5)              C =5.5155(3)           
 Alpha =90                  Beta =114.229(6)          Gamma =90                  
 
 Volume = 680.57(5)