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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R040009_Diopside_RAMAN[1]
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.9156 4.459384   0  2  0    2   19.9060  4.461513   -0.0096 -0.002128
   26.6625 3.343341   0  2  1    2   26.6601  3.343638   -0.0024 -0.000297
   27.6064 3.231042   2  2  0    2   27.5994  3.231849   -0.0070 -0.000807
   29.8770 2.990273  -2  2  1    2   29.8756  2.990406   -0.0014 -0.000132
   30.3047 2.949007   3  1  0    2   30.2984  2.949604   -0.0063 -0.000597
   30.9071 2.892847  -3  1  1    2   30.9029  2.893234   -0.0042 -0.000387
   34.9833 2.564333  -1  3  1    2   34.9816  2.564456   -0.0017 -0.000124
   35.6842 2.515524   2  2  1    2   35.6890  2.515199    0.0048  0.000325
   39.1404 2.300860   3  1  1    2   39.1338  2.301234   -0.0066 -0.000373
   40.7229 2.214977   1  1  2    2   40.7294  2.214636    0.0065  0.000341
   41.0519 2.197972   0  2  2    2   41.0598  2.197567    0.0079  0.000405
   41.9142 2.154702   3  3  0    2   41.9170  2.154566    0.0028  0.000135
   42.3731 2.132410  -3  3  1    2   42.3754  2.132299    0.0023  0.000110
   42.9096 2.106968  -4  2  1    2   42.9046  2.107205   -0.0050 -0.000236
   44.3750 2.040696   0  4  1    2   44.3782  2.040556    0.0032  0.000140
   44.9782 2.014706  -4  0  2    2   44.9766  2.014773   -0.0016 -0.000067
   46.1022 1.968144  -1  3  2    2   46.0985  1.968292   -0.0037 -0.000148
   52.1458 1.753265   1  5  0    2   52.1501  1.753130    0.0043  0.000135
   59.0857 1.562733   6  0  0    2   59.0893  1.562647    0.0036  0.000086
   59.6290 1.549780   3  5  0    2   59.6305  1.549744    0.0015  0.000036
   65.6102 1.422178   5  3  1    2   65.6123  1.422137    0.0021  0.000041
   76.2903 1.247411   3  5  2    2   76.2842  1.247496   -0.0061 -0.000085
   84.3467 1.147562  -6  0  4    2   84.3470  1.147558    0.0003  0.000004

 rmse = 0.00004791125
 
     A =     9.7481(4)         B =     8.9230(3)          C =     5.2508(2)      
 Alpha =    90.             Beta =   105.886(3)       Gamma =    90.             
 
 Volume =    439.28(2)