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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050061
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.6164 4.534232  -1  1  1    2   19.6225  4.532825    0.0061  0.001407
   24.2411 3.676695   1  2  1    2   24.2409  3.676729   -0.0002 -0.000034
   25.6044 3.483519  -1  1  2    2   25.5995  3.484182   -0.0049 -0.000663
   26.4328 3.375969  -2  0  1    2   26.4089  3.378974   -0.0239 -0.003005
   27.2263 3.279155  -1  2  1    2   27.2305  3.278654    0.0042  0.000500
   28.3579 3.150569   0  2  2    2   28.3621  3.150117    0.0042  0.000453
   29.0461 3.077327   2  0  1    2   29.0522  3.076697    0.0061  0.000631
   29.6993 3.010991  -2  1  0    2   29.7072  3.010204    0.0079  0.000787
   30.2076 2.961381  -2  1  1    2   30.2156  2.960610    0.0080  0.000770
   31.0049 2.886887  -1 -3  1    2   31.0052  2.886855    0.0003  0.000032
   31.2788 2.862184  -1  0  3    2   31.2716  2.862829   -0.0072 -0.000645
   31.6311 2.831050   0  3  1    2   31.6276  2.831357   -0.0035 -0.000307
   31.9633 2.802330  -1 -1  3    2   31.9658  2.802119    0.0025  0.000211
   32.5665 2.751702   2 -1  1    2   32.5698  2.751427    0.0033  0.000274
   38.2153 2.356363   3  1  0    2   38.2162  2.356308    0.0009  0.000055
   41.3162 2.186155   1  4  1    2   41.3156  2.186186   -0.0006 -0.000031
   41.9049 2.156754   3  0  1    2   41.9075  2.156626    0.0026  0.000128
   56.4355 1.630555  -4  1  0    2   56.4290  1.630727   -0.0065 -0.000171
   71.2528 1.323256  -5  0  3    2   71.2552  1.323216    0.0024  0.000039

 rmse = 0.00006176735
 
     A =     7.1468(7)         B =     9.191(1)           C =     8.952(2)       
 Alpha =    91.83(2)        Beta =    98.14(1)        Gamma =    77.31(2)        
 
 Volume =    567.9(1)