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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060082
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.082
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.7379 6.479195  -1  1  0    2   13.7446  6.476051    0.0067  0.003144
   18.9880 4.690102   0 -2  1    2   18.9943  4.688551    0.0063  0.001551
   22.0535 4.042158  -2  0  1    2   22.0544  4.041988    0.0009  0.000170
   25.7140 3.472584  -1 -1  2    2   25.7154  3.472400    0.0014  0.000185
   26.5307 3.367178  -1  1  2    2   26.5303  3.367229   -0.0004 -0.000051
   27.6005 3.238656  -2  2  0    2   27.6060  3.238026    0.0055  0.000630
   28.0874 3.183445   0  0  2    2   28.0926  3.182864    0.0052  0.000581
   28.5201 3.135982   2  2  0    2   28.5256  3.135384    0.0055  0.000598
   29.5671 3.026963   1 -3  1    2   29.5703  3.026637    0.0032  0.000326
   30.3326 2.952084   0 -4  1    2   30.3368  2.951686    0.0042  0.000398
   30.5113 2.935154   0 -2  2    2   30.5146  2.934843    0.0033  0.000311
   30.7680 2.911182  -2 -2  2    2   30.7717  2.910843    0.0037  0.000339
   33.8292 2.653777  -1  3  2    2   33.8217  2.654347   -0.0075 -0.000570
   35.3251 2.544487   2 -2  1    2   35.3200  2.544841   -0.0051 -0.000354
   36.8456 2.442664   2  2  1    2   36.8464  2.442614    0.0008  0.000050
   38.2881 2.353690  -1  5  1    2   38.2805  2.354138   -0.0076 -0.000448
   39.5090 2.283571  -3 -3  1    2   39.5068  2.283692   -0.0022 -0.000121
   39.7957 2.267744  -1  1  3    2   39.7909  2.268007   -0.0048 -0.000263
   42.2574 2.140897   0  6  0    2   42.2532  2.141101   -0.0042 -0.000204
   42.4889 2.129743   2 -4  1    2   42.4947  2.129466    0.0058  0.000277
   43.0598 2.102765   1  5  1    2   43.0593  2.102788   -0.0005 -0.000022
   47.2348 1.925853  -4  2  2    2   47.2302  1.926029   -0.0046 -0.000176
   49.3313 1.848663  -4  0  3    2   49.3359  1.848501    0.0046  0.000162
   49.7477 1.834135   4  0  0    2   49.7466  1.834171   -0.0011 -0.000036
   50.1626 1.819907   2  6  0    2   50.1662  1.819784    0.0036  0.000124
   50.8223 1.797783   1  1  3    2   50.8166  1.797973   -0.0057 -0.000190
   51.5794 1.773117  -2  0  4    2   51.5756  1.773239   -0.0038 -0.000122
   57.1470 1.612632  -3  5  3    2   57.1485  1.612593    0.0015  0.000040
   63.9073 1.457146   0  6  3    2   63.9134  1.457021    0.0061  0.000125
   64.2003 1.451192   2  8  0    2   64.1972  1.451255   -0.0031 -0.000063
   70.1112 1.342461  -1  1  5    2   70.1123  1.342443    0.0011  0.000018

 rmse = 0.00004397615
 
     A =     8.1753(4)         B =    12.8785(6)          C =     7.1058(3)      
 Alpha =    93.420(5)       Beta =   116.097(4)       Gamma =    90.416(5)       
 
 Volume =    670.20(4)