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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050505
 
 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
   11.1433 7.970288   1  1  0    2   11.1406  7.972230   -0.0027 -0.001942
   13.7336 6.466631   0  2  0    2   13.7292  6.468722   -0.0044 -0.002091
   16.3045 5.449072   1  2  0    2   16.2994  5.450776   -0.0051 -0.001704
   17.5629 5.060227   2  0  0    2   17.5594  5.061225   -0.0035 -0.000999
   20.3705 4.366922   0  1  1    2   20.3699  4.367050   -0.0006 -0.000128
   20.6593 4.306371  -1  1  1    2   20.6593  4.306369    0.0000  0.000002
   24.3991 3.652720  -2  1  1    2   24.3960  3.653174   -0.0031 -0.000454
   26.5287 3.363561   1  2  1    2   26.5287  3.363559    0.0000  0.000002
   29.8903 2.991837   3  2  0    2   29.8924  2.991629    0.0021  0.000208
   30.7693 2.908198   1  3  1    2   30.7727  2.907881    0.0034  0.000317
   31.3578 2.854859  -2  3  1    2   31.3618  2.854502    0.0040  0.000357
   31.7801 2.817818   2  2  1    2   31.7797  2.817855   -0.0004 -0.000037
   32.7272 2.738275  -3  2  1    2   32.7290  2.738129    0.0018  0.000145
   37.7046 2.386949  -4  1  1    2   37.7032  2.387035   -0.0014 -0.000086
   38.5304 2.337601   3  2  1    2   38.5310  2.337567    0.0006  0.000034
   44.0065 2.058236   1  2  2    2   44.0056  2.058278   -0.0009 -0.000042
   56.7968 1.620944   3  7  0    2   56.7961  1.620962   -0.0007 -0.000018

 rmse = 0.00001696572
 
     A =    10.3189(5)         B =    12.9374(4)          C =     4.7294(2)      
 Alpha =    90.             Beta =   101.199(4)       Gamma =    90.             
 
 Volume =    619.35(3)