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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060043
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.002
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.2514 3.156047   3  1  0    2   28.2590  3.155213    0.0076  0.000834
   10.4097 8.489592   1  1  0    2   10.4168  8.483812    0.0071  0.005780
   55.1784 1.663161   4  6  1    2   55.1845  1.662991    0.0061  0.000170
   35.4659 2.528864  -2  0  2    2   35.4719  2.528450    0.0060  0.000413
    9.7940 9.021767   0  2  0    2    9.7985  9.017619    0.0045  0.004149
   44.5429 2.032353   3  5  1    2   44.5460  2.032220    0.0031  0.000133
   19.6690 4.509362   0  4  0    2   19.6714  4.508809    0.0024  0.000553
   31.6085 2.828104   3  3  0    2   31.6104  2.827937    0.0019  0.000166
   55.8657 1.644318   4  8  0    2   55.8671  1.644281    0.0014  0.000037
   22.9595 3.870042  -1  3  1    2   22.9606  3.869862    0.0011  0.000180
   30.0897 2.967297   2  2  1    2   30.0896  2.967307   -0.0001 -0.000010
   27.0927 3.288328   2  4  0    2   27.0907  3.288562   -0.0020 -0.000234
   39.2108 2.295543  -1  7  1    2   39.2085  2.295674   -0.0023 -0.000131
   34.5796 2.591621   0  6  1    2   34.5772  2.591795   -0.0024 -0.000174
   32.9789 2.713655   1  5  1    2   32.9758  2.713901   -0.0031 -0.000246
   43.9180 2.059809   2  0  2    2   43.9141  2.059981   -0.0039 -0.000172
   57.4683 1.602216   6  0  0    2   57.4643  1.602317   -0.0040 -0.000102
   32.6976 2.736354  -3  3  1    2   32.6934  2.736693   -0.0042 -0.000339
   41.5451 2.171802   2  6  1    2   41.5391  2.172103   -0.0060 -0.000300

 rmse = 0.00003937369
 
     A =9.9126(6)              B =18.035(1)               C =5.2761(5)           
 Alpha =90                  Beta =104.100(7)          Gamma =90                  
 
 Volume = 914.82(9)