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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050500
 
 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
   18.5869 4.783697  -1  1  0    2   18.5894  4.783057    0.0025  0.000641
   23.0971 3.856560   0  2  0    2   23.0965  3.856653   -0.0006 -0.000094
   26.9009 3.318142   0 -2  1    2   26.8982  3.318473   -0.0027 -0.000331
   27.3928 3.259546   1 -1  1    2   27.3980  3.258939    0.0052  0.000606
   27.7002 3.223996   0  2  1    2   27.6947  3.224629   -0.0055 -0.000633
   27.9940 3.190758  -1 -1  2    2   27.9923  3.190950   -0.0017 -0.000192
   28.9661 3.085647   0  0  2    2   28.9658  3.085680   -0.0003 -0.000033
   30.2122 2.960927   2  0  0    2   30.2087  2.961263   -0.0035 -0.000335
   35.1018 2.558224  -2  2  1    2   35.0927  2.558868   -0.0091 -0.000644
   35.9638 2.498766  -2 -2  1    2   35.9702  2.498337    0.0064  0.000429
   36.7431 2.447458   0 -2  2    2   36.7377  2.447803   -0.0054 -0.000345
   39.0443 2.308142   2  2  0    2   39.0433  2.308196   -0.0010 -0.000054
   39.4384 2.285948   2  0  1    2   39.4368  2.286039   -0.0016 -0.000091
   40.0468 2.252564  -2  0  3    2   40.0564  2.252047    0.0096  0.000517
   41.1289 2.195684  -1  1  3    2   41.1320  2.195525    0.0031  0.000159
   42.6864 2.119003   1 -3  1    2   42.6882  2.118918    0.0018  0.000085
   43.1594 2.096840  -3 -1  2    2   43.1535  2.097114   -0.0059 -0.000274
   44.4353 2.039474   1  3  1    2   44.4346  2.039503   -0.0007 -0.000029
   46.5649 1.950930  -2 -2  3    2   46.5698  1.950734    0.0049  0.000196
   48.0009 1.895798   3  1  0    2   47.9985  1.895888   -0.0024 -0.000090
   50.9826 1.791580   0  2  3    2   50.9857  1.791478    0.0031  0.000102
   51.9724 1.759727   1 -3  2    2   51.9787  1.759529    0.0063  0.000198
   52.5794 1.740811  -2  0  4    2   52.5728  1.741014   -0.0066 -0.000203
   54.0013 1.698236  -1  3  3    2   54.0021  1.698211    0.0008  0.000024
   56.4754 1.629494   2 -2  2    2   56.4763  1.629470    0.0009  0.000024
   57.8366 1.594303  -3  3  0    2   57.8346  1.594352   -0.0020 -0.000050
   60.8602 1.522063  -4 -2  2    2   60.8611  1.522042    0.0009  0.000020
   63.6319 1.462220  -4  0  4    2   63.6381  1.462094    0.0062  0.000127
   65.8595 1.418013  -1 -5  2    2   65.8582  1.418037   -0.0013 -0.000024
   69.3715 1.354497  -3 -1  5    2   69.3662  1.354587   -0.0053 -0.000090

 rmse = 0.00004893480
 
     A =     6.6979(3)         B =     7.7195(4)          C =     6.9782(2)      
 Alpha =    90.958(4)       Beta =   117.770(4)       Gamma =    91.413(5)       
 
 Volume =    318.99(2)