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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060275
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.058
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.9950 4.682354   0 -2  1    2   19.0003  4.681057    0.0053  0.001296
   22.0175 4.044236  -2  0  1    2   22.0126  4.045134   -0.0049 -0.000898
   22.8932 3.891088   1 -1  1    2   22.8962  3.890584    0.0030  0.000504
   25.6683 3.475401  -1 -1  2    2   25.6616  3.476298   -0.0067 -0.000897
   26.5029 3.367582  -1  1  2    2   26.5033  3.367527    0.0004  0.000055
   27.8437 3.208051  -2  0  2    2   27.8512  3.207201    0.0075  0.000850
   28.0759 3.181989   0  0  2    2   28.0769  3.181874    0.0010  0.000115
   28.4174 3.144444   2  2  0    2   28.4171  3.144479   -0.0003 -0.000035
   29.6612 3.015098   1 -3  1    2   29.6681  3.014409    0.0069  0.000689
   31.4998 2.842854   1  3  1    2   31.5014  2.842715    0.0016  0.000139
   31.7860 2.817860  -1 -3  2    2   31.7770  2.818643   -0.0090 -0.000783
   35.9262 2.501524  -3  1  2    2   35.9243  2.501650   -0.0019 -0.000126
   38.3492 2.348621  -1  5  1    2   38.3478  2.348703   -0.0014 -0.000082
   39.3198 2.292767  -3 -3  1    2   39.3260  2.292421    0.0062  0.000346
   39.7643 2.268118  -1  1  3    2   39.7577  2.268479   -0.0066 -0.000360
   42.2596 2.139600   0  6  0    2   42.2638  2.139399    0.0042  0.000201
   46.1806 1.966420   3  1  1    2   46.1818  1.966370    0.0012  0.000050
   47.2938 1.922641  -4  2  2    2   47.2882  1.922857   -0.0056 -0.000216
   50.7952 1.797866   1  1  3    2   50.8044  1.797561    0.0092  0.000306
   51.5174 1.774318  -2  0  4    2   51.5126  1.774471   -0.0048 -0.000153
   54.5033 1.683854  -2  2  4    2   54.5065  1.683763    0.0032  0.000091
   55.4897 1.656203   2  4  2    2   55.4826  1.656398   -0.0071 -0.000196
   68.6500 1.367031  -4  0  5    2   68.6538  1.366965    0.0038  0.000067
   71.3561 1.321644  -1 -3  5    2   71.3541  1.321676   -0.0020 -0.000033

 rmse = 0.00005441914
 
     A =     8.1789(6)         B =    12.866(1)           C =     7.1117(2)      
 Alpha =    93.531(7)       Beta =   116.246(5)       Gamma =    89.92(1)        
 
 Volume =    669.67(7)