OBSERVED AND CALCULATED STRUCTURE FACTORS FOR SAMPLE 26

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

  -8  2  4     9.0   -8.1         -6  0  1    34.2  -34.9         -4 10  4    13.0   14.1
  -8  0  8    33.8   35.7          6  0  0    24.2   25.0         -4 10  3     9.9   11.0
  -8  0  7     8.0   -7.8         -6  2 13    14.0   15.0         -4 10  1     9.6   -7.3
  -8  0  6    18.2   18.4          6  2  0     8.8    9.5         -4  6 14    36.0   36.4
  -8  0  5    34.6  -37.1         -6  4  4    12.0   12.4         -4  6 13    43.9  -42.7
  -8  0  4    16.0   18.2          6  4  0    22.0   22.8         -4  6 12    16.0   14.9
  -8  0  2    40.2   40.4          6  8  0    12.8   13.9         -4  6 10    53.3   51.8
  -8  0  1    40.6  -42.1         -6 10  6    12.0  -12.8         -4  6  9    22.0  -23.7
   8  0  0    13.0   12.9          6 10  0     7.9    7.1         -4  6  7    38.1  -39.2
  -8  4  3     7.4    6.6          5  9  0    44.2   46.9         -4  6  6    91.8   89.8
   7  7  0    14.9  -15.2         -5  9  1    46.3  -47.3         -4  6  5    25.9  -25.4
  -7  7  8    11.9  -12.3         -5  9  3    15.2  -15.6         -4  6  4    40.3   39.9
   7  5  0    20.1  -19.7         -5  9  4    43.2   42.6         -4  6  3    81.5  -79.0
  -7  5  4    15.0  -15.2         -5  9  5    29.2  -27.8         -4  6  2    68.7   67.6
   7  3  0    44.4   43.5         -5  9  7    40.4  -41.4          4  6  0    30.0   28.8
  -7  3  1    15.2  -16.3         -5  9  8    45.2   46.4         -4  4 12    14.7   16.3
  -7  3  3    47.2  -47.7         -5  9  9    18.0  -17.6         -4  4 10    21.9  -23.1
  -7  3  4    43.3   45.7         -5  9 10     7.5    8.7         -4  4  7    30.8   31.8
  -7  3  5    20.2  -20.0          5  7  0     9.6  -11.6         -4  2  7    10.0    9.9
  -7  3  6    21.0   22.1         -5  7  1    18.1   18.5         -4  2  6     8.0   -9.6
  -7  3  7    52.3  -52.6         -5  7  4    29.8  -30.5         -4  2  1    10.0   -9.6
  -7  3  8    23.7   23.8         -5  7  6    13.0   13.5         -4  0 15    12.1  -12.0
  -7  3 10    16.0   16.2         -5  7  8     9.7  -12.9         -4  0 14    52.1   52.4
  -7  3 11    32.8  -32.9         -5  7  9     7.8   -8.8         -4  0 13    40.0  -42.3
  -7  1  7    13.0   13.2         -5  5  9    11.8  -12.1         -4  0 12    16.9   18.3
  -6  8  5    18.1   18.1         -5  5 12     9.8  -10.8         -4  0 11    19.9  -21.0
  -6  8  4     9.9   10.1          5  3  0    82.7   80.1         -4  0 10    50.6   49.5
  -6  8  2    13.7  -11.4         -5  3  1    68.7  -68.3         -4  0  9    25.6  -26.5
  -6  6 11    12.8  -13.8         -5  3  3    29.0  -29.7         -4  0  8    12.6   12.4
  -6  6 10    33.1   33.0         -5  3  4    52.3   52.9         -4  0  7    28.1  -27.6
  -6  6  9    35.8  -37.3         -5  3  5    46.7  -47.2         -4  0  6   122.6  120.7
  -6  6  8    16.9   17.6         -5  3  6     8.2    7.6         -4  0  5    66.0  -64.9
  -6  6  6    40.0   40.4         -5  3  7    59.6  -59.4         -4  0  4    33.9   33.6
  -6  6  5    38.2  -40.6         -5  3  8    74.9   73.0         -4  0  3   105.5 -104.1
  -6  6  3    25.0  -26.3         -5  3  9    33.4  -32.9         -4  0  2   128.3  125.0
  -6  6  2    77.0   78.3         -5  3 11    48.5  -46.0         -4  0  1    45.2   41.9
  -6  6  1    26.7  -27.0         -5  3 12    27.8   27.5          4  0  0    33.2   32.4
   6  6  0     7.7    8.6         -5  3 14    12.4   13.5         -4  2 12    16.0   17.1
  -6  4  2    15.9  -17.1          5  1  0    22.0  -23.4         -4  2  3    21.9   21.6
  -6  2  8    15.3   14.5         -5  1  1    13.0   13.6         -4  4 13    12.0   12.2
  -6  0 13    39.0  -39.0         -5  1 12    13.0  -13.4         -4  4  8    23.0   26.5
  -6  0 12    38.1   36.7         -5  7  3     9.8  -10.7         -4  4  2    11.8   12.6
  -6  0 10    43.1   42.9         -5 11  4    19.7  -21.7         -4  8 12     9.7   11.5
  -6  0  9    55.8  -55.2         -4 12  7    16.7  -17.6         -4  8 10    13.8  -15.9
  -6  0  8     7.5    7.1         -4 12  6    45.8   45.0         -4  8  8    12.9   15.7
  -6  0  6    64.4   64.0         -4 12  5    19.3  -20.4         -4  8  7    11.0   13.8
  -6  0  5    34.2  -33.0         -4 12  4    12.1   12.3         -4  8  4    13.8   13.2
  -6  0  4    13.9   13.8         -4 12  3    41.3  -41.6         -4  8  3    10.0   10.9
  -6  0  3    47.1  -47.7         -4 12  2    41.0   39.6         -4 10  8     8.0    6.0
  -6  0  2    82.7   84.2          4 12  0    17.1   16.7         -3 13  1     7.5    7.0

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

  -3 13  3    13.0  -16.4         -2 12  6    39.8   41.5         -2  2 13     7.2    7.4
  -3 13  4     7.9   -8.0         -2 12  4    29.3   28.2         -2  2 11    16.6   15.5
   3  9  0    48.7   48.4         -2 12  3    42.1  -42.6         -2  2  8    21.7   24.7
  -3  9  1    85.8  -84.2         -2 12  2    14.7   15.9         -2  2  6    34.6   36.3
  -3  9  2    34.7   35.4          2 12  0    46.1   46.7         -2  4 14     9.0   -8.4
  -3  9  3    24.3  -24.7         -2 10  9    12.9  -12.9         -2  4 12    10.4   12.3
  -3  9  4    33.3   35.0         -2 10  7    19.4   19.2         -2  4  8    11.0   12.9
  -3  9  5    49.9  -51.6         -2 10  6    10.7   13.0         -2  4  7    18.9   21.3
  -3  9  7     9.1   -9.1         -2 10  5    10.9  -12.2         -2  4  2    13.5   10.6
  -3  9  8    46.5   46.5         -2 10  3    13.8   13.5         -2  4  1    16.1  -16.0
  -3  9  9    50.6  -49.7         -2  8  4    13.1   12.9         -2  8  8    15.9   15.0
  -3  9 11    31.4  -29.9         -2  8  3    34.7   34.1         -2  8  7    10.5   11.1
  -3  9 12    45.9   44.6         -2  6 14    43.9   44.1         -2 10  8     9.4    8.7
  -3  7  1    11.8   12.7         -2  6 11    30.9  -31.0         -1 13  3    16.7  -15.6
  -3  7  3    20.8  -24.5         -2  6 10    47.2   47.5         -1 13  7     8.5   -5.3
  -3  7  4    18.0  -20.5         -2  6  9    21.6  -22.5         -1 11  2    15.6  -15.9
  -3  7  7    11.3  -13.8         -2  6  8    41.9   41.7         -1 11  5    15.1   13.9
  -3  7  8    11.9  -12.9         -2  6  7    80.0  -80.6         -1 11  8    15.7  -14.1
  -3  7 12    11.8  -13.2         -2  6  6   103.4  104.4         -1  9  1    69.3  -68.0
  -3  5  1    22.0   21.7         -2  6  5     8.5   -8.0         -1  9  2    79.9   79.9
  -3  5  3    46.8  -47.5         -2  6  4    42.1   38.4         -1  9  3    41.6  -40.0
  -3  5  4    38.8  -39.1         -2  6  3    98.7  -94.3         -1  9  4    26.1   26.8
  -3  5  5    19.4   18.7         -2  6  2    33.1   33.1         -1  9  5    91.8  -89.9
  -3  5  6    12.0   13.6         -2  6  1    44.4   40.3         -1  9  6    38.8   40.7
  -3  5  7     6.9   -8.8          2  6  0   126.7  125.0         -1  9  8    23.3   24.2
  -3  5  8    22.8  -25.4         -2  4 11    19.0   18.0         -1  9  9    55.0  -51.8
   3  3  0    77.9   79.5         -2  4  4    25.6   24.7         -1  9 11    15.3  -15.1
  -3  3  1   175.9 -176.1         -2  4  3    55.4   55.3         -1  9 12    43.8   44.4
  -3  3  2    81.6   79.3         -2  2 12    26.3   25.2         -1  9 13    37.1  -37.6
  -3  3  3    42.7  -42.1         -2  2 10    30.8  -30.7          1  7  0    23.0   23.1
  -3  3  4    56.2   55.7         -2  2  9    16.6  -17.9         -1  7  2    38.9  -38.8
  -3  3  5    93.8  -92.5         -2  2  4    21.9  -23.5         -1  7  3    42.6  -43.6
  -3  3  6    11.4  -10.8         -2  2  3    27.5   26.4         -1  7  5    19.6   19.2
  -3  3  7    15.4  -15.0         -2  2  2    24.9   26.1         -1  7  7    21.7  -23.4
  -3  3  8    79.1   79.1          2  2  0    43.8   43.7         -1  7  8    11.8  -12.3
  -3  3  9    76.2  -75.2         -2  0 16    19.7   17.3         -1  5  1    17.8   18.0
  -3  3 10    10.8   12.9         -2  0 15    27.1  -26.3         -1  5  2    27.1  -26.4
  -3  3 11    55.3  -52.9         -2  0 14    51.7   52.2         -1  5  3    61.8  -59.0
  -3  3 12    64.3   62.2         -2  0 13    19.1  -20.0         -1  5  7    13.1  -15.6
  -3  3 13    21.1  -19.3         -2  0 12     7.1   -6.9         -1  5  8    15.9  -15.3
  -3  3 15    28.1  -26.1         -2  0 11    31.9  -32.9         -1  5 11    23.1  -22.4
  -3  1  2    13.5  -14.2         -2  0 10    82.1   79.9          1  3  0    24.5  -24.7
  -3  1  4    49.0  -47.5         -2  0  9     9.1  -11.9         -1  3  1   146.8 -147.7
  -3  1  7    15.2  -16.2         -2  0  8    52.1   55.0         -1  3  2   141.2  140.2
  -3  1  8    25.8  -27.5         -2  0  7   145.3 -146.5         -1  3  3   137.1 -134.4
  -3  1 10    10.1    9.9         -2  0  6   129.0  129.0         -1  3  4    75.4   77.0
  -3  1 12    16.9  -16.7         -2  0  4   105.1  103.6         -1  3  5   162.6 -161.6
  -3 11  4    14.6  -15.3         -2  0  3    67.4  -68.0         -1  3  6    72.2   72.6
  -2 12  8    18.7   18.5         -2  0  1    24.5   25.0         -1  3  8    18.2   19.8
  -2 12  7    47.9  -47.2          2  0  0   147.6  149.7         -1  3  9    85.9  -84.2

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

  -1  3 10    13.0   14.5          0  4  1    36.7   37.8          1  5  2    64.7  -64.9
  -1  3 11    16.4  -17.6          0  4  0    54.9   54.7          1  5  6    20.0  -21.7
  -1  3 12    69.2   67.7          0  2 11    17.3   21.5          1  5  7    18.7  -22.2
  -1  3 13    59.8  -60.7          0  2 10     5.4    6.6          1  5  9    15.0   15.5
  -1  3 14    11.2   11.9          0  2  7    26.0   25.7          1  5 10    10.9  -12.9
  -1  3 15    21.9  -21.6          0  2  6    21.8   21.2          1  3  2    70.5   69.1
  -1  3 16    32.9   31.6          0  2  3    76.8   77.4          1  3  3   106.7 -104.9
  -1  1  3    96.9  -95.7          0  2  2    78.7   79.9          1  3  5   127.9 -129.5
  -1  1  5    15.6   16.2          0  0 15    37.4  -35.5          1  3  6   148.3  149.5
  -1  1  6    15.1  -14.7          0  0 14    26.3   25.6          1  3  7    55.6  -55.3
  -1  1  8    17.8  -17.8          0  0 13     9.1    8.4          1  3  8    11.9   13.1
  -1  1 11    17.2  -21.6          0  0 12    39.5   38.3          1  3  9    80.1  -80.7
  -1  1 12     7.2   -6.8          0  0 11    71.7  -71.6          1  3 10    31.2   33.5
  -1  1 15     7.4   -5.4          0  0 10    65.4   64.2          1  3 11     9.6    7.5
  -1  1 16    13.3  -12.6          0  0  9    47.5  -47.1          1  3 12    18.4   21.1
  -1  1  7    25.2  -26.2          0  0  8    86.9   89.5          1  3 13    55.3  -52.3
   0 12  9    14.2  -15.7          0  0  7    87.3  -89.2          1  3 14    26.1   27.0
   0 12  8    34.1   34.2          0  0  6    62.3   64.2          1  3 15    19.6  -18.8
   0 12  7    38.1  -38.2          0  0  5    69.0   68.2          1  1  2   100.5 -101.9
   0 12  6    17.1   17.0          0  0  4    80.2   80.4          1  1  4    14.0   15.0
   0 12  4    40.3   40.4          0  0  3   137.3 -138.5          1  1  6    23.8  -26.6
   0 12  3    39.3  -40.9          0  0  2    29.7   30.9          1  1  7    20.8  -22.3
   0 12  2     7.7    9.3          0  0  1   107.1 -107.3          1  1 10    12.9  -15.9
   0 12  1    26.0  -27.7          0  2  5     7.2   -6.3          1  1 11    14.0  -15.9
   0 12  0    78.4   77.3          0  4  8    10.2  -11.1          1  1 15    12.9  -13.0
   0 10  6    11.6   12.9          0  4  4    33.6  -32.6          1  1  3    37.9  -38.8
   0 10  2    20.9   23.2          0  4  2    27.3   27.8          2 12  8    33.7   32.3
   0  8 11    20.5   19.1          0  8  7    16.6   21.3          2 12  7    17.0  -16.8
   0  8  9    26.7  -26.6          0  8  6    28.8   30.0          2 12  5    25.9  -26.0
   0  8  0    13.8   13.1          0 10  9    10.1  -10.1          2 12  4    53.8   53.2
   0  6 14    28.0   25.5          0 10  7    11.0   12.1          2 12  3    22.9  -23.5
   0  6 12    20.5   21.0          1 13  2    17.9  -17.4          2 12  2    20.1   21.0
   0  6 11    62.8  -64.0          1 13  7     8.2   -9.1          2 12  1    47.3  -46.9
   0  6 10    53.2   53.8          1 11  2    22.0  -22.2          2 10  8    13.9  -13.9
   0  6  9    14.9  -15.7          1  9  1    28.0  -29.4          2 10  6    20.0   21.4
   0  6  8    76.0   75.7          1  9  2    53.1   54.9          2  8 10    16.7   16.4
   0  6  7    82.1  -80.1          1  9  3    48.6  -46.7          2  8  6    11.3   14.2
   0  6  6    15.4   15.3          1  9  4     9.8    9.5          2  8  2    32.7   33.1
   0  6  5    11.7    9.5          1  9  5    60.5  -60.8          2  6 13    13.2  -14.8
   0  6  4    91.7   92.0          1  9  6    75.4   75.3          2  6 12    56.6   54.7
   0  6  3    56.3  -56.7          1  9  7    34.2  -34.1          2  6 11    43.1  -45.9
   0  6  2    43.8   41.7          1  9  9    46.5  -46.3          2  6 10    18.5   18.3
   0  6  1    81.1  -80.2          1  9 10    27.7   28.1          2  6  9    20.6  -21.9
   0  6  0   177.7  175.1          1  9 12    13.0   13.2          2  6  8    50.8   50.1
   0  4 12    13.7   13.6          1  7  2    40.0  -39.8          2  6  7    26.5  -26.9
   0  4 11    21.9   25.4          1  7  3    20.5  -20.4          2  6  6    13.1   11.3
   0  4  9    29.8  -30.2          1  7  6    10.7  -12.3          2  6  5    27.8  -31.3
   0  4  7    37.8   39.5          1  7  7     9.9   -9.6          2  6  4   116.1  120.5
   0  4  6    56.7   56.4          1  7 11    10.6  -10.8          2  6  3    66.6  -66.5
   0  4  5    17.0   16.9          1  7 13     7.8    9.5          2  6  2    35.8   35.3

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

   2  6  1   105.7 -106.3          3  3  9    56.2  -54.2          4  0  8    48.9   48.6
   2  4 10    10.4   13.0          3  3 10    65.2   64.0          4  0  7    21.5  -22.8
   2  4  7    14.9   14.2          3  3 11    22.2  -21.1          4  0  6    44.5   41.9
   2  4  6    27.3   28.6          3  3 13    28.1  -25.9          4  0  5    81.8  -83.4
   2  4  2    54.8   54.1          3  1  5    12.0  -13.6          4  0  4   103.6  104.9
   2  4  1    45.9   48.2          3  1  6    17.8  -20.5          4  0  3     9.5   -9.5
   2  2 11    15.3   18.0          3  1 10    16.4  -18.3          4  0  2    42.1   40.1
   2  2 10    21.4   25.0          3  1  1    42.7  -43.2          4  0  1    98.2  -94.8
   2  2  9    13.8  -17.4          3  1  2    44.7  -45.4          5  9  1    20.2  -20.2
   2  2  8    24.9  -29.1          3  5  1    24.2  -28.7          5  9  2    21.8   24.0
   2  2  7     8.0    9.8          3  7  2    16.3  -19.1          5  9  3    53.5  -53.4
   2  2  6    43.2   46.1          3 11  2    12.0  -12.2          5  9  4    25.9   25.2
   2  2  5    52.7   52.7          3 11  3    12.9   13.2          5  9  6    16.5   16.8
   2  2  3    30.9  -31.7          3 13  2    10.8  -10.3          5  9  7    34.4  -31.7
   2  2  1    30.0   30.2          4 12  4    36.0   35.7          5  5  7    10.9   11.2
   2  0 15    32.0  -32.8          4 12  2    17.9   18.2          5  3  1    41.3  -40.7
   2  0 14    25.1   21.8          4 12  1    37.4  -36.7          5  3  2    25.9   27.0
   2  0 13    10.3  -12.6          4 10  6     8.4    9.2          5  3  3    88.9  -89.8
   2  0 12    61.1   62.0          4 10  5     8.5    8.9          5  3  4    40.1   40.8
   2  0 11    69.6  -68.5          4 10  1    21.9   21.4          5  3  5     8.3    4.9
   2  0 10    16.8   17.8          4  8 10    10.8   10.7          5  3  6    23.4   24.7
   2  0  9    16.1  -16.5          4  8  8    16.7  -18.0          5  3  7    54.7  -52.2
   2  0  8    83.6   84.3          4  8  5    17.0   20.7          5  3  8     6.7   10.3
   2  0  7    16.9  -20.0          4  8  3    16.9  -17.1          5  3  9    14.0  -15.7
   2  0  5    72.8  -73.1          4  8  1    14.0   17.6          5  3 10    45.4   44.7
   2  0  4   161.8  160.6          4  6 11    11.9  -13.9          5  3 11    38.9  -38.2
   2  0  3    78.1  -78.4          4  6  9    29.0  -28.6          5  1  5    10.1  -12.7
   2  0  2   135.4  134.9          4  6  8    48.5   46.6          5  1  3    11.9   12.1
   2  0  1   140.9 -141.4          4  6  6    35.0   34.3          5  5  1    16.2  -18.7
   2 10  3    13.1  -13.2          4  6  5    76.1  -76.4          5  5  3    11.9   13.5
   3  9  1    14.7  -13.8          4  6  4    59.0   60.5          5  5  4    15.1  -14.8
   3  9  2    34.6   34.3          4  6  3     7.6   -9.6          5  5  5     9.4  -10.2
   3  9  3    66.1  -62.6          4  6  2    49.0   47.6          5  7  1    16.8  -19.6
   3  9  6    57.5   56.1          4  6  1    52.5  -53.9          5 11  1    13.0  -13.0
   3  9  7    43.8  -44.2          4  4 10    13.6   15.3          6  8  2    13.8  -14.0
   3  9  9    40.2  -38.8          4  4  8    14.0  -16.2          6  8  1    13.9   14.2
   3  9 10    42.6   42.9          4  4  7    12.1  -13.8          6  6  7    15.1  -15.9
   3  7  1    30.9  -30.8          4  4  6    14.3   14.9          6  6  6    33.3   34.4
   3  7  5    10.8  -10.8          4  4  5    33.0   33.5          6  6  5    38.8  -38.9
   3  7  6    19.8  -20.3          4  4  4     9.2    9.3          6  6  4    18.4   17.1
   3  5  2    38.8  -39.0          4  4  3     9.2  -11.2          6  6  2    42.5   40.7
   3  5 10    16.2  -18.3          4  4  2    11.7  -12.1          6  6  1    40.5  -40.8
   3  3  1    44.0  -40.5          4  4  1    23.0   22.8          6  4  5    18.9   18.3
   3  3  2    55.8   56.5          4  2  8    12.9  -12.7          6  4  3     7.7   -6.9
   3  3  3    91.9  -91.6          4  2  6    17.7   17.8          6  4  1    20.8   20.8
   3  3  4    11.8  -10.1          4  2  5    20.9   21.4          6  2  9    12.9   15.3
   3  3  5    16.0  -16.0          4  2  3    20.8  -21.7          6  2  7    11.9  -12.7
   3  3  6    79.9   81.4          4  2  1    54.6   55.5          6  2  5    16.8   17.0
   3  3  7    77.9  -75.8          4  0 12    47.3   44.9          6  2  4    12.1   15.1
   3  3  8    16.1   16.7          4  0  9    30.6  -32.3          6  0  9    47.2  -45.6

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

   6  0  8    30.7   30.7          6  0  1    34.7  -35.0          7  3  6    11.3   11.0
   6  0  6    49.8   50.5          7  3  1    31.1  -28.7          7  1  4    12.0  -11.6
   6  0  5    51.6  -48.1          7  3  3    45.2  -42.3          8  0  3    17.3  -19.1
   6  0  4    10.0    9.9          7  3  4    50.0   47.5          8  0  2    47.4   45.8
   6  0  2    52.7   52.1          7  3  5    18.8  -19.0          8  0  1    20.8  -20.7