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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050106
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7230 9.116482   0  2  0    2    9.7181  9.121088   -0.0049 -0.004606
    9.9691 8.891314   0  0  1    2    9.9696  8.890845    0.0005  0.000468
   13.0210 6.808702  -2  0  1    2   13.0166  6.811018   -0.0044 -0.002316
   16.9524 5.234798  -1  1  2    2   16.9538  5.234354    0.0014  0.000444
   18.9946 4.675467  -2  2  2    2   18.9950  4.675376    0.0004  0.000092
   19.1912 4.627938   2  2  0    2   19.1947  4.627112    0.0035  0.000827
   19.4729 4.561520   0  4  0    2   19.4771  4.560544    0.0042  0.000976
   19.9936 4.443708   0  0  2    2   19.9858  4.445423   -0.0078 -0.001715
   20.7098 4.291404  -3  1  2    2   20.7117  4.291024    0.0019  0.000381
   20.8481 4.263208  -3  1  1    2   20.8497  4.262879    0.0016  0.000328
   22.2590 3.995713   0  2  2    2   22.2569  3.996077   -0.0021 -0.000364
   23.4877 3.789133  -2  4  1    2   23.4854  3.789493   -0.0023 -0.000361
   23.7604 3.746204  -2  0  3    2   23.7510  3.747664   -0.0094 -0.001460
   24.0663 3.699217   2  0  1    2   24.0732  3.698167    0.0069  0.001050
   25.6360 3.475902   2  4  0    2   25.6358  3.475933   -0.0002 -0.000032
   26.4621 3.369114   1  1  2    2   26.4563  3.369842   -0.0058 -0.000728
   28.6375 3.117677  -3  3  3    2   28.6446  3.116917    0.0071  0.000759
   28.9488 3.084821   3  3  0    2   28.9496  3.084741    0.0008  0.000080
   31.0894 2.876928   0  6  1    2   31.0908  2.876805    0.0014  0.000123
   32.2346 2.777192  -2  6  1    2   32.2451  2.776311    0.0105  0.000881
   32.9058 2.722010  -4  0  4    2   32.8989  2.722567   -0.0069 -0.000557
   35.7789 2.509560   0  6  2    2   35.7789  2.509560    0.0000  0.000000
   36.1416 2.485183   0  4  3    2   36.1442  2.485008    0.0026  0.000175
   36.8410 2.439555  -5  1  1    2   36.8374  2.439785   -0.0036 -0.000230
   42.5951 2.122140   0  6  3    2   42.5937  2.122206   -0.0014 -0.000067
   42.9939 2.103361  -2  8  2    2   42.9954  2.103291    0.0015  0.000071
   44.1566 2.050600  -5  3  5    2   44.1592  2.050484    0.0026  0.000116
   49.9892 1.824007   0 10  0    2   49.9830  1.824218   -0.0062 -0.000211
   50.4831 1.807303   0  8  3    2   50.4853  1.807231    0.0022  0.000073
   71.8938 1.312616   5 11  0    2   71.8940  1.312613    0.0002  0.000003
   74.4633 1.273537   1  5  6    2   74.4635  1.273534    0.0002  0.000003

 rmse = 0.00003329891
 
     A =    13.6234(9)         B =    18.2421(6)          C =    11.2793(6)      
 Alpha =    90.             Beta =   127.978(4)       Gamma =    90.             
 
 Volume =   2209.5(1)