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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050341
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.058
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.0126 4.445960  -1  1  1    2   20.0043  4.447797   -0.0083 -0.001837
   20.7940 4.280149  -2  0  1    2   20.8026  4.278404    0.0086  0.001745
   21.5941 4.122905   0  2  0    2   21.5960  4.122540    0.0019  0.000365
   22.3764 3.980123   1  1  1    2   22.3870  3.978266    0.0106  0.001857
   23.0962 3.857369   1  2  0    2   23.0966  3.857307    0.0004  0.000062
   23.4557 3.798908  -2  1  1    2   23.4640  3.797574    0.0083  0.001333
   26.7867 3.332548   3  1  0    2   26.7863  3.332601   -0.0004 -0.000053
   28.9402 3.088774  -3  1  1    2   28.9481  3.087944    0.0079  0.000830
   29.3009 3.051490   1  2  1    2   29.2900  3.052606   -0.0109 -0.001116
   30.1306 2.969161  -2  2  1    2   30.1359  2.968649    0.0053  0.000512
   33.4086 2.684431   2  2  1    2   33.4052  2.684698   -0.0034 -0.000266
   35.7296 2.514904  -2  1  2    2   35.7245  2.515255   -0.0051 -0.000351
   36.6588 2.453160   0  3  1    2   36.6597  2.453103    0.0009  0.000058
   37.1981 2.418767   1  1  2    2   37.1909  2.419221   -0.0072 -0.000454
   39.2571 2.296327  -1  2  2    2   39.2657  2.295843    0.0086  0.000483
   41.1635 2.194121   3  3  0    2   41.1634  2.194128   -0.0001 -0.000008
   41.6377 2.170186   2  3  1    2   41.6341  2.170367   -0.0036 -0.000181
   42.2660 2.139323  -4  0  2    2   42.2685  2.139202    0.0025  0.000121
   42.8238 2.112702   5  1  0    2   42.8158  2.113079   -0.0080 -0.000378
   44.7590 2.025627   1  4  0    2   44.7604  2.025567    0.0014  0.000060
   46.3607 1.959216   3  3  1    2   46.3554  1.959429   -0.0053 -0.000213
   47.2719 1.923507  -5  2  1    2   47.2725  1.923484    0.0006  0.000022
   54.7847 1.675878  -6  2  1    2   54.7833  1.675917   -0.0014 -0.000039
   59.6557 1.550007   1  5  1    2   59.6552  1.550019   -0.0005 -0.000012
   62.4268 1.487630   4  3  2    2   62.4371  1.487410    0.0103  0.000220
   69.0521 1.360054   0  0  4    2   69.0503  1.360085   -0.0018 -0.000031
   70.8468 1.329909  -1  6  1    2   70.8465  1.329914   -0.0003 -0.000006
   87.4288 1.115225   3  5  3    2   87.4279  1.115234   -0.0009 -0.000009

 rmse = 0.00005185210
 
     A =    11.1285(6)         B =     8.2450(3)          C =     5.5389(3)      
 Alpha =    90.             Beta =   100.827(5)       Gamma =    90.             
 
 Volume =    499.18(3)