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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061121
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5580 4.541946  -1  1  1    2   19.5573  4.542111   -0.0007 -0.000164
   24.1451 3.687382   1  2  1    2   24.1318  3.689384   -0.0133 -0.002002
   25.7341 3.462923   2  0  0    2   25.7322  3.463179   -0.0019 -0.000256
   27.1625 3.283774  -1  2  1    2   27.1678  3.283148    0.0053  0.000625
   28.2699 3.157471   0  2  2    2   28.2643  3.158079   -0.0056 -0.000608
   28.9423 3.085551   2  0  1    2   28.9543  3.084293    0.0120  0.001258
   29.6382 3.014594  -2  1  0    2   29.6293  3.015482   -0.0089 -0.000887
   30.1140 2.967991  -2  1  1    2   30.1200  2.967412    0.0060  0.000579
   30.9172 2.892618  -1 -3  1    2   30.9127  2.893027   -0.0045 -0.000409
   31.5412 2.836746   0  3  1    2   31.5461  2.836319    0.0049  0.000427
   31.8622 2.808868  -1 -1  3    2   31.8623  2.808857    0.0001  0.000011
   32.0686 2.791243   1  3  1    2   32.0753  2.790676    0.0067  0.000566
   32.4998 2.755153   2 -1  1    2   32.5001  2.755130    0.0003  0.000023
   33.6351 2.664625  -1  1  3    2   33.6293  2.665072   -0.0058 -0.000447
   33.8365 2.649210  -2  1  2    2   33.8402  2.648927    0.0037  0.000283
   34.7899 2.578699   2  1  2    2   34.7921  2.578540    0.0022  0.000159
   38.0412 2.365271   3  1  0    2   38.0397  2.365359   -0.0015 -0.000088
   41.1802 2.191803   1  4  1    2   41.1806  2.191782    0.0004  0.000021
   41.7698 2.162196   3  0  1    2   41.7673  2.162320   -0.0025 -0.000124
   45.3313 2.000140  -2  0  4    2   45.3334  2.000054    0.0021  0.000086
   47.2265 1.924147  -2  3  2    2   47.2244  1.924227   -0.0021 -0.000080

 rmse = 0.00004712242
 
     A =7.1745(8)              B =9.207(1)                C =8.973(1)            
 Alpha =91.77(1)            Beta =98.20(1)            Gamma =77.14(1)            
 
 Volume = 571.94(8)