OBSERVED AND CALCULATED STRUCTURE FACTORS FOR SAMPLE 120

   H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/

  -1 11  2    17.3  -16.9         -1  1  9     6.5    5.6          1  3  2    83.9   84.1
  -1 11  3    23.8  -23.1         -1  1 11    17.2  -17.7          1  3  1    34.4  -35.5
  -1 11  5    11.6   10.2         -1  1 12    13.6  -13.4          1  3  0     8.2   -8.8
  -1 11  7    18.3  -17.4         -1  1 13     8.3    9.1          1  1 13    14.5   13.1
  -1  9  1    73.5  -74.6         -1  1 14    10.0    9.3          1  1 11    19.0  -19.4
  -1  9  2    83.1   86.1          1 11  7     9.9  -10.3          1  1 10    14.4  -14.2
  -1  9  3    49.0  -50.4          1 11  6     8.9   -8.1          1  1  7    29.9  -29.4
  -1  9  4    35.3   37.0          1 11  4     8.6    8.9          1  1  6    28.2  -28.7
  -1  9  5    92.5  -95.1          1 11  3    12.8  -12.6          1  1  5     7.1    6.4
  -1  9  6    44.8   45.9          1 11  2    19.4  -19.0          1  1  4     7.2    6.5
  -1  9  8    26.2   24.7          1 11  1     8.6   -8.9          1  1  3    48.1  -48.1
  -1  9  9    60.7  -58.6          1 11  0    17.4   18.9          1  1  2    89.7  -89.5
  -1  9 10    12.6   12.3          1  9  9    56.4  -54.8          1  1  1    34.5  -33.8
  -1  7  1     8.3    8.3          1  9  8    10.4   10.2          1  1  0    34.4   34.6
  -1  7  2    32.6  -34.2          1  9  7    34.5  -34.0          0 12  4    40.0   39.4
  -1  7  3    39.8  -41.3          1  9  6    86.3   85.4          0 12  3    46.1  -45.6
  -1  7  5    14.9   15.6          1  9  5    72.4  -73.1          0 12  2     9.0    9.6
  -1  7  7    26.0  -24.8          1  9  4    12.3   12.3          0 12  1    33.6  -31.9
  -1  7  8    10.8  -11.0          1  9  3    52.4  -52.8          0 10  9     8.2   -8.2
  -1  7 11    10.3  -11.0          1  9  2    58.9   60.7          0 10  7    14.5   15.0
  -1  7 12     8.0   -7.7          1  9  1    27.4  -28.3          0 10  6    12.7   11.1
  -1  5  1    11.1   11.8          1  7 11    11.6  -13.7          0 10  5     8.6   -8.7
  -1  5  2    39.4  -39.8          1  7 10    11.3  -10.7          0 10  4     6.3   -6.0
  -1  5  3    50.8  -52.2          1  7  7    16.6  -16.4          0 10  3    14.4   14.2
  -1  5  4     8.5   -9.1          1  7  6    16.8  -16.3          0 10  2    24.6   24.9
  -1  5  5    12.5   11.6          1  7  4     8.3    8.8          0  8 11    18.1   19.1
  -1  5  7    31.5  -30.4          1  7  3    21.2  -21.9          0  8  9    25.2  -24.7
  -1  5  8     8.6   -9.0          1  7  2    38.5  -40.8          0  8  7    29.9   29.3
  -1  5 11    13.8  -15.8          1  7  1    11.8  -12.7          0  8  6    37.3   36.1
  -1  5 12    10.7  -11.2          1  7  0    21.7   23.5          0  8  4    15.3  -15.3
  -1  5 13     8.2    8.4          1  5 11    14.8  -16.8          0  8  2    22.0   22.7
  -1  3  1   156.4 -154.7          1  5 10     8.0   -9.0          0  8  1    14.1   14.9
  -1  3  3   147.3 -149.4          1  5  7    25.3  -25.3          0  6 12    18.9   19.6
  -1  3  4    86.0   85.7          1  5  6    24.3  -23.9          0  6 11    66.2  -71.1
  -1  3  5   180.6 -179.7          1  5  5     6.6    6.9          0  6 10    64.5   65.2
  -1  3  6    83.7   83.4          1  5  4    14.4   13.6          0  6  9    18.3  -18.4
  -1  3  8    32.0   32.4          1  5  3    27.9  -28.8          0  6  8    87.7   87.4
  -1  3  9    99.5 -100.2          1  5  2    53.6  -56.3          0  6  7    93.6  -94.0
  -1  3 10    16.9   19.3          1  5  1    25.9  -28.0          0  6  6    24.0   23.7
  -1  3 11    26.7  -29.0          1  5  0    24.9   26.9          0  6  4    97.3  100.8
  -1  3 12    82.2   83.0          1  3 13    67.0  -67.6          0  6  3    63.5  -63.8
  -1  3 13    70.4  -69.2          1  3 12    30.1   32.3          0  6  2    49.0   52.6
  -1  3 14    14.1   12.7          1  3 10    35.1   35.8          0  6  1    94.2  -93.9
  -1  1  1    15.5   16.4          1  3  9    93.5  -93.4          0  4 12    26.2   26.6
  -1  1  2    68.2  -66.6          1  3  8    16.7   16.2          0  4 11    27.0   29.7
  -1  1  3    84.4  -83.5          1  3  7    61.5  -62.6          0  4  9    31.5  -34.6
  -1  1  4    20.3  -19.8          1  3  6   157.1  156.8          0  4  8    12.6  -12.2
  -1  1  5    14.2   13.3          1  3  5   149.2 -148.3          0  4  7    50.4   48.6
  -1  1  7    36.4  -36.6          1  3  4    23.1   22.8          0  4  6    61.6   60.9
  -1  1  8    16.9  -16.1          1  3  3   118.2 -118.4          0  4  5    13.7   14.2

   H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/

   0  4  4    27.2  -28.6          2  6  8    58.2   56.2         -2 10  9    18.0  -16.5
   0  4  3    17.1  -18.0          2  6  7    37.1  -35.6          2  8  0     7.2   -7.0
   0  4  2    24.0   26.6          2  6  6    19.6   18.6         -2  8  1    18.0  -19.2
   0  4  1    43.4   45.2          2  6  5    27.0  -26.4         -2  8  2    16.7   17.7
   0  2 13    14.4  -14.1          2  6  4   129.9  131.4         -2  8  3    29.0   29.0
   0  2 12     8.7    8.4          2  6  3    82.3  -83.3         -2  8  4    12.6   11.9
   0  2 11    18.6   19.0          2  6  2    42.0   42.0         -2  8  5    12.7  -12.9
   0  2  8     7.2    6.9          2  6  1   117.2 -116.2         -2  8  7    16.4   16.2
   0  2  7    36.4   35.1          2  4 11    13.1   13.4         -2  8  8    14.4   15.0
   0  2  6    19.4   18.6          2  4 10    14.3   14.5         -2  8  9     8.1   -8.5
   0  2  5    16.8  -14.6          2  4  7    15.5   16.6          2  6  0   139.6  143.9
   0  2  4     7.4    6.4          2  4  6    30.0   29.8         -2  6  1    34.5   32.6
   0  2  3    64.4   64.0          2  4  4    16.9  -15.6         -2  6  2    33.5   35.3
   0  2  2    83.6   84.0          2  4  3    12.6   11.8         -2  6  3   106.1 -106.7
   0  2  1     7.9    7.4          2  4  2    55.1   55.6         -2  6  4    47.3   46.9
   0  0 14    33.4   33.9          2  4  1    39.2   40.3         -2  6  5    17.3  -16.9
   0  0 13    12.6   11.5          2  2 12     7.7    7.3         -2  6  6   119.6  119.6
   0  0 12    48.5   46.7          2  2 11    33.3   34.3         -2  6  7    90.5  -92.1
   0  0 11    77.1  -76.3          2  2 10    18.8   20.1         -2  6  8    49.6   50.1
   0  0 10    77.9   74.1          2  2  9    18.5  -18.4         -2  6  9    30.9  -30.9
   0  0  9    61.9  -59.0          2  2  8    32.2  -32.3         -2  6 10    53.0   51.3
   0  0  8   105.7  102.1          2  2  7    13.3   12.5         -2  6 11    35.3  -35.9
   0  0  7   107.7 -104.4          2  2  6    67.7   65.2         -2  6 12     9.9   10.2
   0  0  6    93.4   92.0          2  2  5    47.4   46.6          2  4  0    11.1  -11.5
   0  0  5    57.4   55.4          2  2  4     7.6   -7.2         -2  4  1    23.2  -24.4
   0  0  4    97.2   94.5          2  2  3    32.8  -31.9         -2  4  2    23.6   24.8
   0  0  2    45.5   45.0          2  2  1    38.2   38.8         -2  4  3    54.7   56.2
   0 12  0    89.0   87.7          2  0 12    67.7   66.9         -2  4  4    24.8   23.5
   0 10  0    12.1  -12.8          2  0 11    85.0  -84.3         -2  4  5    11.3  -10.9
   0  8  0     9.5    9.9          2  0 10    33.6   34.4         -2  4  7    23.5   22.5
   0  6  0   183.6  185.5          2  0  9    13.3  -14.9         -2  4  8    20.1   20.5
   0  4  0    53.8   52.7          2  0  8   102.3  101.1         -2  4  9     7.6   -6.2
   0  2  0    35.9  -37.0          2  0  7    40.9  -38.0         -2  4 11    11.7   11.7
   2 12  3    28.2  -28.9          2  0  5    72.0  -72.9         -2  4 12    15.0   15.4
   2 12  2    27.5   26.1          2  0  4   183.1  182.8          2  2  0    54.1   53.0
   2 12  1    53.8  -52.2          2  0  3    89.6  -87.7         -2  2  1    47.8   47.3
   2 10  6    28.2   26.4          2  0  2   149.3  146.4         -2  2  2    42.0   41.4
   2 10  5    14.3   13.8          2 12  0    51.8   50.9         -2  2  3     7.6    8.0
   2 10  4     8.9   -8.1         -2 12  2    13.5   13.4         -2  2  4    29.8  -29.7
   2 10  3    12.1  -12.4         -2 12  3    42.8  -42.1         -2  2  5    17.3  -15.9
   2 10  2     9.2    8.7         -2 12  4    33.2   31.9         -2  2  6    36.5   35.8
   2 10  1    12.1   13.2         -2 12  5     7.8   -7.7         -2  2  7    64.3   64.5
   2  8  7     8.1    7.8          2 10  0     7.2    6.7         -2  2  8    27.8   26.9
   2  8  6    24.2   23.7         -2 10  2    12.5   12.6         -2  2  9    33.2  -32.8
   2  8  4    11.8  -11.7         -2 10  3     8.6    9.1         -2  2 10    25.2  -25.1
   2  8  2    31.2   31.5         -2 10  4     6.7   -7.1         -2  2 11    10.7   10.4
   2  8  1    21.4   22.0         -2 10  5    12.0  -12.0         -2  2 12    34.6   35.5
   2  6 11    50.4  -53.0         -2 10  6    10.7   10.3         -2  2 13    14.9   13.7
   2  6 10    28.1   29.4         -2 10  7    24.9   23.7         -2  2 14    12.4  -12.2
   2  6  9    26.6  -27.5         -2 10  8    12.8   11.7          2  0  0   165.4  165.9

   H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/

  -2  0  2    32.2   31.9          3  1  9     7.3   -7.5         -3  1  8    30.2  -29.0
  -2  0  3    81.0  -80.9          3  1 10    18.8  -19.1         -3  1  7    18.2  -16.9
  -2  0  5    24.6  -23.3          3  1 11     8.0   -7.7         -3  1  6    16.2   14.8
  -2  0  6   135.1  140.3         -3 11  6     8.5    9.5         -3  1  5     7.9    7.5
  -2  0  7   162.2 -163.6         -3 11  3    19.9  -20.0         -3  1  4    37.6  -35.3
  -2  0  8    71.6   69.9         -3 11  1    11.2   11.7         -3  1  3    61.8  -60.4
  -2  0  9    17.7  -15.5         -3  9  9    61.1  -58.2         -3  1  2    10.9  -10.9
  -2  0 10    94.4   91.8         -3  9  8    59.1   56.5         -3  1  1    28.2   27.3
  -2  0 11    44.0  -42.6         -3  9  7     9.4   -8.7         -3  7  5     7.7    6.9
  -2  0 13    28.1  -29.5         -3  9  6     7.1    6.6          4 10  3     9.1   -9.6
  -2  0 14    66.7   67.7         -3  9  5    59.8  -59.6          4 10  2     9.0    8.4
   3 11  1    20.0  -19.4         -3  9  4    36.9   38.6          4 10  1    18.2   18.0
   3 11  2    11.8  -10.7         -3  9  3    25.1  -26.0          4  8  6    18.7   18.0
   3 11  4    10.4   11.0         -3  9  2    50.5   51.8          4  8  5    27.5   25.9
   3  9  1    21.3  -20.9         -3  9  1    97.0  -96.2          4  8  3    16.4  -15.4
   3  9  2    41.5   42.0          3  9  0    48.9   48.5          4  8  1    12.3   12.1
   3  9  3    60.0  -60.6         -3  7 10     8.7    7.8          4  6  8    56.6   58.7
   3  9  5    16.1  -15.5         -3  7  8    17.7  -17.1          4  6  7    13.5  -12.7
   3  9  6    65.6   64.2         -3  7  7    13.2  -12.4          4  6  6    32.3   32.6
   3  9  7    52.4  -50.5         -3  7  6     9.0    9.1          4  6  5    86.9  -85.3
   3  7  1    30.6  -30.4         -3  7  4    18.2  -17.6          4  6  4    82.5   81.3
   3  7  2    24.8  -24.4         -3  7  3    32.3  -32.7          4  6  3    14.3  -14.4
   3  7  4    10.3   10.8         -3  7  1    16.5   17.6          4  6  2    54.6   53.2
   3  7  5    11.0  -10.6         -3  5 12     8.9   -9.9          4  6  1    65.6  -65.3
   3  7  6    21.2  -20.0         -3  5 10     7.8    7.3          4  4  8    22.5  -21.3
   3  7  8     6.5    6.4         -3  5  8    23.7  -23.6          4  4  7    12.7  -13.2
   3  5  1    35.6  -37.1         -3  5  7    16.1  -14.4          4  4  6    23.7   24.5
   3  5  2    32.1  -33.1         -3  5  6    16.4   16.7          4  4  5    39.4   40.0
   3  5  4    11.6   11.4         -3  5  5     7.3    7.9          4  4  4    10.1   10.5
   3  5  5    12.9  -11.6         -3  5  4    25.7  -24.9          4  4  3    18.6  -18.2
   3  5  6    21.9  -21.0         -3  5  3    48.2  -48.0          4  4  2     7.6   -7.4
   3  5  9     7.2   -7.2         -3  5  2     8.0   -7.2          4  4  1    19.9   18.8
   3  5 10    14.0  -15.5         -3  5  1    22.5   24.4          4  2 10    13.1   14.1
   3  3  1    54.9  -53.8         -3  3 13    24.6  -23.7          4  2  9     8.3    8.1
   3  3  2    67.7   68.2         -3  3 12    73.6   76.0          4  2  6    22.6   22.3
   3  3  3   100.9 -101.7         -3  3 11    62.3  -62.9          4  2  5    20.5   19.7
   3  3  4     8.2   -7.5         -3  3 10    20.8   21.2          4  2  4     9.4   -8.8
   3  3  5    30.6  -31.9         -3  3  9    94.2  -93.2          4  2  3    13.6  -12.1
   3  3  6    98.9   99.1         -3  3  8    95.1   93.4          4  2  2    26.2   24.6
   3  3  7    84.3  -86.2         -3  3  7    18.6  -19.0          4  2  1    42.8   46.2
   3  3  8    18.0   17.0         -3  3  5   107.8 -106.6          4  0 10     9.3    9.9
   3  3  9    68.4  -71.2         -3  3  4    63.4   63.6          4  0  9    32.9  -32.9
   3  3 10    68.9   69.6         -3  3  3    56.7  -56.7          4  0  8    56.2   56.0
   3  3 11    18.1  -17.3         -3  3  2   104.2  103.6          4  0  7    28.8  -30.7
   3  1  1    49.7  -48.5         -3  3  1   191.4 -189.2          4  0  6    47.4   49.4
   3  1  2    47.9  -46.2          3  3  0    92.3   89.3          4  0  5    81.4  -85.0
   3  1  4    10.7   10.4         -3  1 14    13.9   13.1          4  0  4   134.1  131.0
   3  1  5    15.3  -14.4         -3  1 12    13.3  -13.7          4  0  3    30.8  -27.9
   3  1  6    28.6  -28.2         -3  1 11     7.3   -7.3          4  0  2    43.5   41.2
   3  1  7     6.3   -5.8         -3  1 10     7.5    7.7          4  0  1   108.5 -108.1

   H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/

  -4 10  1    11.9  -11.8         -4  0 13    51.3  -51.4         -5  3  7    70.0  -68.9
  -4 10  3    13.2   13.2          5  9  1    28.3  -27.2         -5  3  6    15.3   14.2
  -4 10  4    16.7   15.7          5  9  2    32.9   32.2         -5  3  5    60.0  -62.0
  -4 10  6     7.9   -6.5          5  7  1    23.8  -23.0         -5  3  4    63.3   63.4
   4  8  0    15.4   15.3          5  7  2     7.2   -5.9         -5  3  3    27.3  -26.2
  -4  8  3    12.8   13.0          5  7  3     8.0    8.0         -5  3  2     8.1    7.2
  -4  8  5    13.0  -14.0          5  7  5    12.0  -11.4         -5  3  1    92.3  -90.4
  -4  8  7    15.8   14.9          5  5  1    26.4  -26.0          5  3  0    88.8   88.5
  -4  8  8    28.6   26.9          5  5  3    11.3   10.8         -5  1 10     9.3    8.9
   4  6  0    34.7   34.7          5  5  5    19.1  -18.9         -5  1  9    14.1  -14.7
  -4  6  2    75.8   73.6          5  5  6     7.8   -8.9         -5  1  8    18.9  -18.9
  -4  6  3    91.5  -91.1          5  3  1    48.3  -49.4         -5  1  6    15.4   14.3
  -4  6  4    57.4   55.5          5  3  2    45.0   45.0         -5  1  4    34.8  -33.7
  -4  6  5    35.4  -36.8          5  3  3   106.2 -103.6         -5  1  3    19.5  -20.5
  -4  6  6    98.0   97.8          5  3  4    37.9   37.2         -5  1  2    13.5   14.4
  -4  6  7    53.8  -54.3          5  3  6    35.5   34.5         -5  1  1    11.7   11.7
  -4  6  9    24.5  -23.4          5  3  7    64.2  -62.3          5  1  0    18.5  -19.3
  -4  6 10    60.4   61.8          5  3  8    10.1    8.9          6  6  2    40.1   39.1
  -4  6 11    16.6  -16.2          5  1  1    31.9  -32.2          6  6  1    55.0  -53.8
   4  4  0    22.2   21.4          5  1  2     8.8   -7.8          6  4  5    15.1   15.6
  -4  4  1    11.4   11.1          5  1  3    12.0   11.6          6  4  3    10.8  -10.8
  -4  4  2    12.1   12.3          5  1  5    19.4  -20.1          6  4  1    22.7   21.7
  -4  4  3    20.7   20.9          5  1  6    11.2  -11.5          6  2  5    26.1   26.2
  -4  4  5    19.3  -19.3         -5  9  6     9.3    8.6          6  2  4    20.4   21.6
  -4  4  7    28.2   26.9         -5  9  5    38.5  -36.5          6  2  2    14.9  -14.0
  -4  4  8    36.5   36.6         -5  9  4    44.9   43.9          6  0  6    53.3   55.4
  -4  4 10    26.3  -26.0         -5  9  3    13.4  -13.3          6  0  5    65.8  -67.3
  -4  4 11     9.8   -9.4         -5  9  1    55.8  -56.8          6  0  4    21.7   22.8
  -4  4 12    17.0   17.7          5  9  0    56.4   53.9          6  0  2    61.0   60.8
   4  2  0    16.7   16.6         -5  7  9    11.2  -11.7          6  0  1    47.2  -47.9
  -4  2  1    24.2  -23.6         -5  7  8    12.0  -11.7         -6  8  2    12.3  -12.2
  -4  2  2    12.2  -11.6         -5  7  6    13.3   13.1          6  6  0    17.2   16.1
  -4  2  3    31.5   33.6         -5  7  4    24.5  -24.6         -6  6  1    24.7  -26.3
  -4  2  4    39.1   38.9         -5  7  3    14.5  -14.8         -6  6  2    94.5   94.8
  -4  2  6    11.8  -11.5         -5  7  2    12.3   12.5         -6  6  3    45.2  -46.0
  -4  2  8    24.9   23.3         -5  7  1    11.3   11.6         -6  6  4    11.0   10.7
  -4  2 12    12.7   13.4          5  7  0    10.2  -10.2         -6  6  5    47.2  -47.2
   4  0  0    54.6   57.4         -5  5 10    10.4    9.7         -6  6  6    50.8   50.9
  -4  0  1    40.8   42.5         -5  5  9    11.1  -12.1          6  4  0    21.9   21.6
  -4  0  2   127.5  129.4         -5  5  8    16.4  -15.8         -6  4  2    16.3  -17.0
  -4  0  3   130.5 -133.4         -5  5  6    13.1   12.8         -6  4  4    24.1   24.7
  -4  0  4    47.9   47.3         -5  5  4    24.4  -24.8         -6  4  5    12.9   12.4
  -4  0  5    78.6  -75.7         -5  5  3    17.0  -16.7         -6  4  9    10.4   10.8
  -4  0  6   140.8  141.2         -5  5  2    12.0   13.7          6  2  0    17.0   16.6
  -4  0  7    41.1  -41.6         -5  5  1     8.7    8.4         -6  2  1     9.2    8.9
  -4  0  8    15.7   17.2          5  5  0    15.8  -16.0         -6  2  3     9.0    8.9
  -4  0  9    34.6  -36.0         -5  3 11    56.2  -55.2         -6  2  4    14.7   15.1
  -4  0 10    55.6   57.2         -5  3 10    11.8   11.1         -6  2  6    13.1  -12.6
  -4  0 11    32.0  -32.7         -5  3  9    45.0  -45.2         -6  2  8    25.3   25.1
  -4  0 12    26.3   28.1         -5  3  8    96.9   94.8         -6  2  9    17.7   17.6

   H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/          H  K  L    /FO/   /FC/

  -6  2 10    13.2  -12.1         -6  0  7    11.8   -9.8         -7  3  4    65.2   62.9
   6  0  0    28.5   28.9         -6  0  8     7.1    6.5         -7  3  3    48.2  -48.7
  -6  0  1    41.8  -44.6         -6  0  9    62.3  -62.6         -7  3  1    26.2  -26.4
  -6  0  2   101.5  101.8         -6  0 10    62.1   62.9          7  3  0    48.8   50.9
  -6  0  3    63.2  -65.2          7  3  1    31.0  -32.2         -7  1  5    14.7  -14.8
  -6  0  4    24.4   26.9          7  1  1    10.9  -10.5         -7  1  4    18.3  -18.7
  -6  0  5    38.4  -39.4         -7  3  6    27.7   28.3         -7  1  2    11.2   12.4
  -6  0  6    71.3   71.5         -7  3  5    35.4  -35.3          7  1  0    17.9  -18.7