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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050275
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.050
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.2494 7.249010   1  1  0    2   12.2616  7.241787    0.0122  0.007222
   17.3337 5.126362   0  2  0    2   17.3416  5.124024    0.0079  0.002338
   17.7219 5.014616   1  0  1    2   17.7346  5.011032    0.0127  0.003584
   19.7540 4.501802   1  1  1    2   19.7545  4.501681    0.0005  0.000120
   21.6910 4.103044  -1  2  1    2   21.7000  4.101351    0.0090  0.001693
   24.6189 3.620312   2  2  0    2   24.6149  3.620894   -0.0040 -0.000582
   25.9836 3.432813  -1  1  2    2   25.9733  3.434153   -0.0103 -0.001340
   26.3559 3.385068   2  1  1    2   26.3476  3.386118   -0.0083 -0.001050
   26.5928 3.355391  -3  1  1    2   26.5886  3.355913   -0.0042 -0.000522
   29.9539 2.985468   1  0  2    2   29.9539  2.985471    0.0000 -0.000003
   30.3019 2.951913  -3  0  2    2   30.2962  2.952455   -0.0057 -0.000542
   36.0458 2.492953  -1  3  2    2   36.0529  2.492477    0.0071  0.000476
   39.3368 2.291369   2  4  0    2   39.3444  2.290941    0.0076  0.000428
   44.8771 2.020196   2  3  2    2   44.8738  2.020337   -0.0033 -0.000141
   50.0543 1.822488  -2  0  4    2   50.0555  1.822448    0.0012  0.000040
   50.9518 1.792441   3  3  2    2   50.9461  1.792627   -0.0057 -0.000187
   54.1698 1.693212   4  2  2    2   54.1751  1.693059    0.0053  0.000153
   54.4706 1.684562   1  6  0    2   54.4654  1.684710   -0.0052 -0.000148
   54.7040 1.677918  -6  2  2    2   54.7027  1.677957   -0.0013 -0.000038
   58.4459 1.578996  -4  5  2    2   58.4490  1.578919    0.0031  0.000077
   72.0083 1.311135   6  5  0    2   72.0087  1.311129    0.0004  0.000006

 rmse = 0.00005015712
 
     A =10.8248(7)             B =10.2481(6)              C =7.2903(5)           
 Alpha =90                  Beta =109.003(5)          Gamma =90                  
 
 Volume = 764.66(6)