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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050102
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.036
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.3899 6.624827   1  1  0    2   13.3947  6.622478    0.0048  0.002349
   15.7556 5.632758   0  2  0    2   15.7685  5.628180    0.0129  0.004578
   17.4339 5.092989  -1  1  1    2   17.4515  5.087887    0.0176  0.005103
   19.1513 4.639112   1  2  0    2   19.1539  4.638477    0.0026  0.000636
   21.7044 4.097930   2  0  0    2   21.7205  4.094929    0.0161  0.003002
   27.1086 3.290927  -2  2  1    2   27.1106  3.290689    0.0020  0.000237
   28.4827 3.135007  -1  3  1    2   28.4857  3.134681    0.0030  0.000326
   30.9209 2.892846   2  0  1    2   30.9246  2.892507    0.0037  0.000339
   31.2499 2.863101   0  0  2    2   31.2589  2.862293    0.0090  0.000807
   37.5450 2.395789   1  1  2    2   37.5462  2.395713    0.0012  0.000076
   38.0358 2.365966  -1  3  2    2   38.0342  2.366063   -0.0016 -0.000097
   38.9550 2.312176  -2  4  1    2   38.9556  2.312144    0.0006  0.000032
   40.8761 2.207737   3  3  0    2   40.8808  2.207493    0.0047  0.000245
   41.6181 2.170040   1  5  0    2   41.6038  2.170752   -0.0143 -0.000712
   43.7601 2.068569  -1  4  2    2   43.7771  2.067806    0.0170  0.000763
   46.3475 1.958843   3  4  0    2   46.3326  1.959438   -0.0149 -0.000595
   47.4103 1.917347   2  2  2    2   47.4094  1.917381   -0.0009 -0.000033
   49.2823 1.848754   1  4  2    2   49.2858  1.848629    0.0035  0.000125
   49.8683 1.828378   1  6  0    2   49.8591  1.828694   -0.0092 -0.000317
   50.3973 1.810405  -1  5  2    2   50.3796  1.811000   -0.0177 -0.000595
   52.7007 1.736518   3  5  0    2   52.6894  1.736864   -0.0113 -0.000346
   56.6815 1.623564  -5  2  2    2   56.6915  1.623300    0.0100  0.000263
   59.7257 1.547825  -1  7  1    2   59.7302  1.547719    0.0045  0.000106
   69.1053 1.358748   3  5  2    2   69.1060  1.358735    0.0007  0.000013
   78.9308 1.212334  -6  1  4    2   78.9308  1.212334    0.0000  0.000001
   80.2355 1.195864   1  9  1    2   80.2445  1.195752    0.0090  0.000112
   83.2804 1.159684  -6  3  4    2   83.2774  1.159718   -0.0030 -0.000034
   85.1404 1.139027   0  1  5    2   85.1392  1.139041   -0.0012 -0.000013

 rmse = 0.00009294120
 
     A =8.7231(8)              B =11.2564(6)              C =6.0973(4)           
 Alpha =90                  Beta =110.137(6)          Gamma =90                  
 
 Volume = 562.10(5)