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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060052
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.059
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.0577 5.211801   1  0  0    2   17.0665  5.209116    0.0088  0.002685
   21.8914 4.067588  -1  1  1    2   21.8973  4.066509    0.0059  0.001079
   38.6968 2.328377  -2  1  2    2   38.7005  2.328161    0.0037  0.000216
   37.1259 2.423367   1  0  2    2   37.1281  2.423227    0.0022  0.000140
   18.0785 4.918784  -1  0  1    2   18.0802  4.918333    0.0017  0.000451
   13.6895 6.491191   0  0  1    2   13.6905  6.490703    0.0010  0.000487
   58.4534 1.579044   0  4  2    2   58.4543  1.579023    0.0009  0.000021
   18.4144 4.829520   0  1  1    2   18.4134  4.829768   -0.0010 -0.000248
   39.5916 2.277712  -1  0  3    2   39.5892  2.277843   -0.0024 -0.000132
   30.7320 2.912382  -1  2  1    2   30.7285  2.912704   -0.0035 -0.000322
   35.5311 2.528580   1  2  1    2   35.5273  2.528843   -0.0038 -0.000262
   32.6494 2.745280  -2  0  1    2   32.6446  2.745677   -0.0048 -0.000396

 rmse = 0.00003148984
 
     A =5.5090(5)              B =7.2295(4)               C =6.8644(5)           
 Alpha =90                  Beta =108.992(7)          Gamma =90                  
 
 Volume = 258.51(2)