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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050621
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.077
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.4243 6.168155   0  0  1    2   14.4272  6.166895    0.0029  0.001260
   16.4259 5.417232   1  0  0    2   16.4295  5.416039    0.0036  0.001193
   19.4021 4.589148  -1  0  1    2   19.4036  4.588792    0.0015  0.000356
   23.0496 3.868097  -1  1  0    2   23.0453  3.868818   -0.0043 -0.000720
   23.7772 3.750969   0  1  1    2   23.7759  3.751176   -0.0013 -0.000207
   24.1448 3.694505   1  0  1    2   24.1477  3.694074    0.0029  0.000432
   27.3330 3.269162   1 -1  1    2   27.3340  3.269039    0.0010  0.000123
   29.0131 3.083056   0  0  2    2   29.0093  3.083448   -0.0038 -0.000392
   30.7209 2.915017   1  1  1    2   30.7203  2.915072   -0.0006 -0.000055
   31.1073 2.879594  -1 -1  2    2   31.1080  2.879532    0.0007  0.000061
   32.2468 2.780149   0  2  0    2   32.2478  2.780063    0.0010  0.000086
   35.5069 2.531447  -2 -1  1    2   35.5062  2.531499   -0.0007 -0.000051
   38.2851 2.353527   0  2  1    2   38.2848  2.353548   -0.0003 -0.000020
   40.6353 2.222408  -1  2  1    2   40.6360  2.222370    0.0007  0.000038
   44.0895 2.055668   0  0  3    2   44.0903  2.055632    0.0008  0.000036
   44.9491 2.018265   1 -2  2    2   44.9487  2.018281   -0.0004 -0.000016

 rmse = 0.00001557094
 
     A =     5.5542(3)         B =     5.6990(3)          C =     6.4727(2)      
 Alpha =   102.672(4)       Beta =   102.805(4)       Gamma =    86.906(5)       
 
 Volume =    194.92(1)