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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050195
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.1790 8.702275   0  1  1    2   10.1842  8.697834    0.0052  0.004441
   13.4409 6.593239   1  0  0    2   13.4384  6.594472   -0.0025 -0.001233
   15.0469 5.891881   1  1  0    2   15.0517  5.889996    0.0048  0.001884
   15.2436 5.816180   0  0  2    2   15.2419  5.816838   -0.0017 -0.000658
   15.5354 5.707426   0  2  1    2   15.5376  5.706608    0.0022  0.000818
   17.6228 5.034939  -1  0  2    2   17.6247  5.034394    0.0019  0.000545
   19.2793 4.605396  -1  2  1    2   19.2808  4.605046    0.0015  0.000350
   20.4235 4.349608   0  2  2    2   20.4268  4.348917    0.0033  0.000691
   23.7937 3.740009   1  1  2    2   23.7908  3.740457   -0.0029 -0.000448
   23.9329 3.718550   0  1  3    2   23.9343  3.718328    0.0014  0.000222
   24.4568 3.639993   1  3  0    2   24.4549  3.640273   -0.0019 -0.000281
   25.5107 3.491822   0  3  2    2   25.5117  3.491684    0.0010  0.000138
   26.5886 3.352538   1  2  2    2   26.5873  3.352695   -0.0013 -0.000157
   27.2372 3.274092   0  4  0    2   27.2355  3.274289   -0.0017 -0.000197
   27.5417 3.238551  -2  0  2    2   27.5419  3.238525    0.0002  0.000026
   30.3476 2.944982   2  2  0    2   30.3474  2.944998   -0.0002 -0.000016
   31.6317 2.828211  -2  1  3    2   31.6325  2.828144    0.0008  0.000067
   33.7127 2.658121   0  2  4    2   33.7135  2.658057    0.0008  0.000064
   35.7850 2.508699   1  4  2    2   35.7882  2.508481    0.0032  0.000218
   36.9204 2.434067   1  5  0    2   36.9150  2.434410   -0.0054 -0.000343
   37.4216 2.402591   1  1  4    2   37.4212  2.402617   -0.0004 -0.000026
   38.3018 2.349345  -2  2  4    2   38.2976  2.349593   -0.0042 -0.000248
   38.7484 2.323273   2  4  0    2   38.7472  2.323342   -0.0012 -0.000069
   40.0301 2.251749  -3  0  2    2   40.0306  2.251723    0.0005  0.000026
   42.1024 2.145524   0  6  1    2   42.1045  2.145420    0.0021  0.000105
   44.4674 2.036690  -2  5  2    2   44.4689  2.036626    0.0015  0.000065
   45.5592 1.990364  -3  1  4    2   45.5603  1.990317    0.0011  0.000046

 rmse = 0.00001796081
 
     A =     6.8128(2)         B =    13.0971(4)          C =    12.0189(5)      
 Alpha =    90.             Beta =   104.545(3)       Gamma =    90.             
 
 Volume =   1038.05(5)