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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050393
 
 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
    9.0186 9.860402   0  1  0    2    9.0264  9.851808    0.0078  0.008594
   11.9654 7.426037   1  0  0    2   11.9723  7.421740    0.0069  0.004297
   12.2864 7.231817  -1  1  0    2   12.2929  7.227965    0.0065  0.003852
   17.2776 5.145266   1  1  0    2   17.2779  5.145186    0.0003  0.000080
   19.5767 4.544093   0  1  1    2   19.5698  4.545677   -0.0069 -0.001584
   20.2567 4.392624   0 -2  1    2   20.2575  4.392448    0.0008  0.000176
   21.1624 4.206117   1 -1  1    2   21.1668  4.205244    0.0044  0.000873
   23.4058 3.806799   1 -2  1    2   23.4020  3.807411   -0.0038 -0.000611
   24.0163 3.711161   2  0  0    2   24.0182  3.710870    0.0019  0.000290
   24.9023 3.580785   1  2  0    2   24.9038  3.580566    0.0015  0.000219
   25.6933 3.472063  -1  3  0    2   25.6903  3.472459   -0.0030 -0.000396
   28.0553 3.184278  -1  0  2    2   28.0563  3.184163    0.0010  0.000115
   29.3536 3.046048   0 -1  2    2   29.3462  3.046800   -0.0074 -0.000752
   30.4387 2.939680   0  0  2    2   30.4413  2.939438    0.0026  0.000242
   35.4425 2.534600   1 -4  1    2   35.4436  2.534524    0.0011  0.000075
   36.9250 2.436010  -3 -1  1    2   36.9265  2.435916    0.0015  0.000094
   40.5331 2.226790   3  1  0    2   40.5305  2.226928   -0.0026 -0.000137
   41.0962 2.197527   1  1  2    2   41.0974  2.197465    0.0012  0.000062
   41.3582 2.184189  -2  3  2    2   41.3577  2.184215   -0.0005 -0.000025
   44.1080 2.054010  -2  5  0    2   44.1084  2.053990    0.0004  0.000020
   44.7112 2.027654   0 -1  3    2   44.7121  2.027614    0.0009  0.000040

 rmse = 0.00002358916
 
     A =     8.3457(9)         B =    10.6059(6)          C =     6.4463(4)      
 Alpha =    98.895(6)       Beta =   108.943(7)       Gamma =   105.55(1)        
 
 Volume =    501.31(4)