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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060383
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.051
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.0666 6.796184   0  0  2    2   13.0711  6.793866    0.0045  0.002318
   14.0500 6.320906   1  1  0    2   14.0497  6.321025   -0.0003 -0.000118
   14.4900 6.129266   2  0  0    2   14.4903  6.129139    0.0003  0.000127
   16.1984 5.484437   1  1  1    2   16.2092  5.480800    0.0108  0.003637
   17.9989 4.938106  -1  1  2    2   17.9974  4.938521   -0.0015 -0.000415
   20.3672 4.367497   1  1  2    2   20.3594  4.369167   -0.0078 -0.001670
   22.7417 3.915542  -1  1  3    2   22.7440  3.915155    0.0023  0.000387
   24.1691 3.686942   0  2  0    2   24.1571  3.688752   -0.0120 -0.001810
   24.4286 3.648279  -3  1  1    2   24.4310  3.647920    0.0024  0.000359
   25.5852 3.485588   1  1  3    2   25.5856  3.485531    0.0004  0.000057
   26.2626 3.397025   0  0  4    2   26.2633  3.396933    0.0007  0.000092
   27.5371 3.242336   0  2  2    2   27.5422  3.241742    0.0051  0.000594
   31.4085 2.850305   1  1  4    2   31.4063  2.850498   -0.0022 -0.000193
   33.0622 2.711200   2  0  4    2   33.0625  2.711174    0.0003  0.000026
   34.4800 2.602727  -4  0  4    2   34.4789  2.602806   -0.0011 -0.000079
   35.9556 2.499072   0  2  4    2   35.9596  2.498801    0.0040  0.000272
   39.8226 2.264546   0  0  6    2   39.8212  2.264622   -0.0014 -0.000077

 rmse = 0.00003089970
 
     A =    12.617(2)          B =     7.3775(9)          C =    13.986(1)       
 Alpha =    90.             Beta =   103.708(9)       Gamma =    90.             
 
 Volume =   1264.8(2)