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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040131
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.054
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5572 7.686214   1  1  0    2   11.5640  7.681706    0.0068  0.004508
   16.3135 5.446941   0  2  0    2   16.3078  5.448851   -0.0057 -0.001911
   21.9829 4.049848   0  2  1    2   21.9903  4.048500    0.0074  0.001348
   23.1965 3.840145   2  2  0    2   23.1922  3.840853   -0.0043 -0.000708
   25.3475 3.518236  -2  2  0    2   25.3447  3.518615   -0.0028 -0.000378
   25.9427 3.438683  -1 -3  1    2   25.9482  3.437961    0.0055  0.000722
   26.8983 3.318403  -1  3  0    2   26.8968  3.318585   -0.0015 -0.000182
   27.5005 3.246946   3  1  0    2   27.5068  3.246211    0.0063  0.000735
   32.6480 2.744960   3  1  1    2   32.6486  2.744907    0.0006  0.000052
   32.9090 2.723747   0  4  0    2   32.9006  2.724426   -0.0084 -0.000678
   35.0801 2.559727   3  3  0    2   35.0682  2.560569   -0.0119 -0.000842
   39.1046 2.304691  -2  4  0    2   39.1090  2.304443    0.0044  0.000248
   41.6484 2.169431   1  5  0    2   41.6553  2.169086    0.0069  0.000345
   45.7407 1.984171   5  1  0    2   45.7440  1.984034    0.0033  0.000137
   49.8043 1.831201  -1 -1  4    2   49.8038  1.831217   -0.0005 -0.000016
   51.9879 1.759224  -4  4  0    2   51.9853  1.759307   -0.0026 -0.000083
   63.7947 1.458868   3  7  0    2   63.7946  1.458871   -0.0001 -0.000003

 rmse = 0.00005198041
 
     A =    10.137(2)          B =    11.092(1)           C =     7.3249(6)      
 Alpha =    99.51(3)        Beta =   100.61(4)        Gamma =    83.364(9)       
 
 Volume =    795.42(9)