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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060558
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.8294 4.975764  -1  1  0    2   17.8322  4.975002    0.0028  0.000762
   19.5778 4.534753  -1  1  1    2   19.5842  4.533290    0.0064  0.001464
   24.2284 3.673161   1  2  1    2   24.2278  3.673244   -0.0006 -0.000084
   25.7997 3.452744   2  0  0    2   25.8015  3.452510    0.0018  0.000235
   26.1312 3.409659  -2 -1  1    2   26.1308  3.409712   -0.0004 -0.000052
   27.1849 3.279755  -1  2  1    2   27.1932  3.278770    0.0083  0.000985
   28.3374 3.148844   0  2  2    2   28.3409  3.148467    0.0035  0.000377
   29.0161 3.076670   2  0  1    2   29.0193  3.076339    0.0032  0.000331
   29.6652 3.010769  -2  1  0    2   29.6641  3.010877   -0.0011 -0.000108
   29.8958 2.988055   1  3  0    2   29.8960  2.988032    0.0002  0.000023
   30.1747 2.961052  -2  1  1    2   30.1739  2.961130   -0.0008 -0.000078
   30.9776 2.886065  -1 -3  1    2   30.9810  2.885760    0.0034  0.000305
   31.6118 2.829563   0  3  1    2   31.6059  2.830080   -0.0059 -0.000517
   31.9261 2.802404  -1 -1  3    2   31.9256  2.802445   -0.0005 -0.000041
   32.1856 2.780387   1  3  1    2   32.1896  2.780053    0.0040  0.000334
   32.5269 2.751971   2 -1  1    2   32.5262  2.752028   -0.0007 -0.000057
   33.7157 2.657554  -1  1  3    2   33.7128  2.657773   -0.0029 -0.000219
   33.9228 2.641793  -2  1  2    2   33.9184  2.642127   -0.0044 -0.000334
   34.9080 2.569418   2  1  2    2   34.9067  2.569513   -0.0013 -0.000095
   35.0749 2.557566   2  0  2    2   35.0776  2.557379    0.0027  0.000188
   36.8717 2.436891   1 -1  3    2   36.8744  2.436718    0.0027  0.000173
   38.2026 2.354959   3  1  0    2   38.1949  2.355418   -0.0077 -0.000459
   41.3137 2.184443   1  4  1    2   41.3120  2.184530   -0.0017 -0.000087
   41.8768 2.156349   3  0  1    2   41.8759  2.156395   -0.0009 -0.000046
   42.5192 2.125231  -3  1  1    2   42.5168  2.125344   -0.0024 -0.000114
   44.0547 2.054622  -3 -3  1    2   44.0575  2.054497    0.0028  0.000125
   57.8437 1.593212  -2 -4  4    2   57.8423  1.593248   -0.0014 -0.000036
   71.2170 1.323247  -5  0  3    2   71.2189  1.323217    0.0019  0.000030

 rmse = 0.00003024541
 
     A =7.1448(2)              B =9.1868(5)               C =8.9531(6)           
 Alpha =91.877(5)           Beta =98.165(3)           Gamma =77.375(5)           
 
 Volume = 567.64(4)