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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060193
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.089
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.7428 6.479800  -1  1  0    2   13.7472  6.477725    0.0044  0.002075
   15.2835 5.826067  -1 -1  1    2   15.2806  5.827182   -0.0029 -0.001115
   18.9955 4.689777   0 -2  1    2   18.9898  4.691179   -0.0057 -0.001402
   22.0377 4.046156  -2  0  1    2   22.0452  4.044795    0.0075  0.001361
   22.8490 3.903732   1 -1  1    2   22.8529  3.903068    0.0039  0.000664
   24.5188 3.640563   1  3  0    2   24.5131  3.641402   -0.0057 -0.000839
   26.5272 3.368388  -1  1  2    2   26.5278  3.368311    0.0006  0.000078
   27.5980 3.239658  -2  2  0    2   27.6049  3.238862    0.0069  0.000796
   28.0869 3.184189   0  0  2    2   28.0858  3.184312   -0.0011 -0.000123
   28.5149 3.137212   2  2  0    2   28.5114  3.137592   -0.0035 -0.000380
   29.5645 3.027844   1 -3  1    2   29.5667  3.027620    0.0022  0.000224
   30.3300 2.952921   0 -4  1    2   30.3300  2.952925    0.0000 -0.000003
   30.7485 2.913562  -2 -2  2    2   30.7482  2.913591   -0.0003 -0.000029
   31.5808 2.838432   1  3  1    2   31.5802  2.838485   -0.0006 -0.000053
   33.8252 2.654555  -1  3  2    2   33.8267  2.654438    0.0015  0.000116
   39.0799 2.308056  -3  3  1    2   39.0749  2.308339   -0.0050 -0.000284
   42.4935 2.129819   2 -4  1    2   42.4892  2.130024   -0.0043 -0.000205
   43.0523 2.103403   1  5  1    2   43.0537  2.103336    0.0014  0.000067
   45.6838 1.987937   0  6  1    2   45.6842  1.987919    0.0004  0.000018
   47.2100 1.927047  -4  2  2    2   47.2166  1.926794    0.0066  0.000253
   49.3111 1.849592  -4  0  3    2   49.3061  1.849770   -0.0050 -0.000178
   50.1451 1.820713   2  6  0    2   50.1454  1.820701    0.0003  0.000012
   51.5558 1.774073  -2  0  4    2   51.5517  1.774203   -0.0041 -0.000130
   52.7173 1.737621  -2 -2  4    2   52.7225  1.737461    0.0052  0.000160

 rmse = 0.00003805215
 
     A =8.1809(5)              B =12.881(1)               C =7.1101(3)           
 Alpha =93.465(7)           Beta =116.110(7)          Gamma =90.369(6)           
 
 Volume = 671.10(5)