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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040097
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.067
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   42.0548 2.149990   3  3  0    2   42.0392  2.150752   -0.0156 -0.000762
   42.4884 2.129012  -3  3  1    2   42.4778  2.129521   -0.0106 -0.000509
   73.2511 1.292165  -3  1  4    2   73.2434  1.292283   -0.0077 -0.000117
   39.1392 2.303443   3  1  1    2   39.1321  2.303843   -0.0071 -0.000400
   57.1212 1.612892   4  4  0    2   57.1146  1.613064   -0.0066 -0.000172
   70.7682 1.331328  -7  1  2    2   70.7641  1.331394   -0.0041 -0.000067
   44.5330 2.035748   0  4  1    2   44.5292  2.035914   -0.0038 -0.000166
   37.7316 2.386228   1  3  1    2   37.7293  2.386371   -0.0023 -0.000143
   29.9347 2.988977  -2  2  1    2   29.9340  2.989048   -0.0007 -0.000071
   42.9632 2.106540  -4  2  1    2   42.9634  2.106530    0.0002  0.000010
   62.7019 1.481930   0  6  0    2   62.7030  1.481907    0.0011  0.000023
   30.3465 2.949259   3  1  0    2   30.3496  2.948966    0.0031  0.000293
   56.7134 1.623531  -5  3  1    2   56.7168  1.623441    0.0034  0.000090
   30.9252 2.895257  -3  1  1    2   30.9287  2.894940    0.0035  0.000317
   27.6895 3.226609   2  2  0    2   27.6937  3.226127    0.0042  0.000482
   65.6597 1.422081   5  3  1    2   65.6658  1.421963    0.0061  0.000118
   35.0800 2.560626  -1  3  1    2   35.0870  2.560133    0.0070  0.000492
   35.7151 2.516449   2  2  1    2   35.7230  2.515912    0.0079  0.000537
   26.6983 3.344408   0  2  1    2   26.7081  3.343196    0.0098  0.001212
   40.9919 2.203341   0  2  2    2   41.0029  2.202775    0.0110  0.000565
   71.5531 1.318626  -5  3  3    2   71.5645  1.318443    0.0114  0.000183

 rmse = 0.00008480970
 
     A =     9.7503(6)         B =     8.8914(7)          C =     5.2734(4)      
 Alpha =    90.             Beta =   105.891(7)       Gamma =    90.             
 
 Volume =    439.70(4)