#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_meli1
_shelx_title '  meli1 in P -4 21 m'
_shelx_refln_list_code          4
_shelx_F_calc_maximum       48.96
_exptl_crystal_F_000       272.04
_reflns_d_resolution_high  0.7302
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 'x+1/2, -y+1/2, -z'
 '-x, -y, z'
 '-x+1/2, y+1/2, -z'
 '-y+1/2, -x+1/2, z'
 '-y, x, -z'
 'y, -x, -z'
 'y+1/2, x+1/2, z'
 
_cell_length_a     7.7620
_cell_length_b     7.7620
_cell_length_c     5.0311
_cell_angle_alpha  90.000
_cell_angle_beta   90.000
_cell_angle_gamma  90.000
 
_shelx_F_squared_multiplier     1.000
 
loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_F_squared_calc
 _refln_F_squared_meas
 _refln_F_squared_sigma
 _refln_observed_status
   1   1   0      194.70      190.97      1.53 o
   0   2   0       48.93       63.44      0.67 o
   1   2   0      375.51      382.12      2.92 o
   2   2   0      942.57      979.55      8.34 o
   2   3   0       17.13       21.53      4.84 o
   1   4   0     1154.24     1174.71     10.51 o
   3   4   0        6.40        7.30      0.94 o
   1   5   0      231.03      228.83      1.29 o
   2   5   0      434.35      419.26      2.31 o
   3   5   0      445.19      445.16      1.31 o
   4   5   0       77.68       74.53      0.62 o
   5   5   0       12.52       14.13      0.38 o
   1   6   0      460.39      452.90      2.06 o
   2   6   0      124.63      115.54      0.96 o
   3   6   0      346.12      325.32      1.66 o
   4   6   0      203.96      190.10      1.39 o
   5   6   0      274.46      277.97      1.66 o
   6   6   0      763.79      787.16     10.49 o
   1   7   0      343.64      326.92      2.02 o
   2   7   0      103.98      102.98      0.73 o
   3   7   0     2208.48     2174.45     21.94 o
   4   7   0      234.89      241.99      1.18 o
   5   7   0       19.22       16.87      0.66 o
   6   7   0        9.88        7.88      0.28 o
   7   7   0      151.74      157.96      2.41 o
   0   8   0      217.34      228.69      1.71 o
   1   8   0       42.28       47.87      0.38 o
   2   8   0       94.83       94.82      0.81 o
   3   8   0       36.86       37.72      0.65 o
   4   8   0       24.15       23.82      0.31 o
   5   8   0        0.46        1.61      0.37 o
   6   8   0      187.95      189.94      2.46 o
   7   8   0      164.22      160.32      3.33 o
   1   9   0      188.22      176.33      1.00 o
   2   9   0      249.93      236.65      2.06 o
   3   9   0       73.35       70.05      0.70 o
   4   9   0       90.37       87.47      1.13 o
   5   9   0      114.61      116.06      1.17 o
   0  10   0      105.91      121.78      1.96 o
   1  10   0      224.85      214.04      1.31 o
   2  10   0      248.28      264.27      3.39 o
   3  10   0       66.65       60.72      1.41 o
   0   0   1     1058.29     1024.35      5.42 o
  -1   1   1      877.30      903.40      4.71 o
   0   1   1      235.12      228.03      1.42 o
   1   1   1      850.02      882.12      3.57 o
  -2   2   1     1109.02     1216.45      4.84 o
   2   2   1     1080.81     1181.10      2.51 o
  -3   3   1     1016.42     1019.60     14.78 o
  -2   3   1      274.21      260.96      1.07 o
  -1   3   1      167.20      165.00      0.86 o
   0   3   1     1280.23     1385.14      8.41 o
   1   3   1      165.97      165.05      2.29 o
   2   3   1      280.84      269.31      1.58 o
   3   3   1     1049.62     1051.48      9.58 o
  -4   4   1     1184.44     1189.97      1.61 o
  -3   4   1       27.09       24.41      0.28 o
  -2   4   1      259.62      271.20      1.74 o
  -1   4   1     1050.86     1056.63      7.08 o
   0   4   1      192.76      189.27      1.04 o
   1   4   1     1022.71     1003.99      1.70 o
   2   4   1      264.84      275.66      0.83 o
   3   4   1       28.35       25.87      0.31 o
   4   4   1     1198.90     1206.11      6.94 o
  -5   5   1       73.86       81.01      1.17 o
  -4   5   1      781.21      784.20      1.85 o
  -3   5   1       67.14       65.06      0.70 o
  -1   5   1      733.99      732.00      4.32 o
   0   5   1      198.30      194.24      1.19 o
   1   5   1      723.29      722.45      4.00 o
   3   5   1       66.84       63.21      0.42 o
   4   5   1      797.38      792.43      7.94 o
   5   5   1       78.02       86.86      3.20 o
  -6   6   1       16.00       16.65      0.58 o
  -5   6   1      212.74      212.83      1.52 o
  -4   6   1      225.49      213.34      1.25 o
  -3   6   1       67.73       64.18      0.95 o
  -2   6   1      765.30      774.31      4.15 o
  -1   6   1      488.93      487.03      2.91 o
   0   6   1        4.10        5.25      0.25 o
   1   6   1      480.23      469.47      3.42 o
   2   6   1      759.76      763.98      4.51 o
   3   6   1       68.02       63.65      0.57 o
   4   6   1      216.76      202.91      1.63 o
   5   6   1      215.18      212.51      2.76 o
   6   6   1       17.01       17.93      0.64 o
  -7   7   1       12.96       14.07      0.45 o
  -6   7   1        5.35        5.34      0.29 o
  -5   7   1      329.87      339.50      1.96 o
  -4   7   1      105.74      110.50      1.27 o
  -3   7   1      240.62      234.35      2.42 o
  -2   7   1      287.54      272.78      1.66 o
  -1   7   1       17.51       19.29      0.27 o
   0   7   1        0.13        5.38      1.65 o
   1   7   1       15.67       17.31      0.34 o
   2   7   1      298.62      285.44      1.13 o
   3   7   1      239.39      233.13      1.90 o
   4   7   1      102.29      107.80      1.32 o
   5   7   1      323.94      330.52      4.14 o
   6   7   1        5.69        6.33      0.59 o
   7   7   1       15.45       16.71      0.43 o
  -6   8   1      326.99      320.65      2.69 o
  -5   8   1      447.89      455.48      4.75 o
  -4   8   1       45.05       45.09      0.32 o
  -3   8   1       26.79       24.67      0.33 o
  -2   8   1       41.20       43.57      0.66 o
  -1   8   1      503.69      511.99      4.41 o
   0   8   1      802.12      780.74      3.06 o
   1   8   1      499.69      512.43      3.35 o
   2   8   1       41.53       43.92      0.81 o
   3   8   1       27.26       24.35      0.40 o
   4   8   1       44.27       43.22      0.50 o
   5   8   1      437.02      443.11      4.59 o
   6   8   1      329.24      326.74      5.66 o
  -5   9   1       10.62        9.85      0.40 o
  -4   9   1       86.45       89.00      2.30 o
  -3   9   1      396.82      406.56      4.44 o
  -2   9   1      231.66      252.07      2.98 o
  -1   9   1        5.86        8.64      0.56 o
   0   9   1       28.47       28.34      1.05 o
   1   9   1        6.03        7.08      0.36 o
   2   9   1      234.36      252.57      2.56 o
   3   9   1      403.46      410.46      5.26 o
   4   9   1       86.70       89.37      1.50 o
   5   9   1       11.05       10.43      0.36 o
  -3  10   1       15.80       15.70      0.53 o
  -2  10   1       46.19       43.46      1.04 o
  -1  10   1       10.23        9.18      0.41 o
   0  10   1       42.70       51.07      0.73 o
   1  10   1        8.70        6.80      0.57 o
   2  10   1       47.88       43.70      0.84 o
   3  10   1       15.44       15.76      0.59 o
   0   0   2     1309.33     1154.67      4.11 o
  -1   1   2      477.73      508.43     12.59 o
   0   1   2     1092.18     1089.86     15.20 o
   1   1   2      472.95      501.17      7.91 o
  -2   2   2     1049.40     1009.39      2.81 o
  -1   2   2     1083.64     1126.34      7.67 o
   0   2   2       29.68       26.14      0.46 o
   1   2   2     1086.71     1095.72      2.19 o
   2   2   2     1053.08     1058.44      2.88 o
  -3   3   2      426.45      423.84      1.90 o
  -2   3   2      414.84      433.33      3.40 o
   0   3   2       97.03       76.94      1.15 o
   2   3   2      414.20      423.82      1.84 o
   3   3   2      425.74      417.83      1.14 o
  -4   4   2      692.78      682.43     10.85 o
  -3   4   2      363.80      346.70      2.86 o
  -2   4   2      449.57      444.81      4.17 o
  -1   4   2      146.72      145.86      1.05 o
   0   4   2       98.89       93.14      0.52 o
   1   4   2      135.58      135.13      2.06 o
   2   4   2      441.71      436.23      1.60 o
   3   4   2      368.43      356.70      0.73 o
   4   4   2      713.09      707.15      4.04 o
  -5   5   2      332.30      323.66      2.41 o
  -4   5   2      287.27      290.04      0.75 o
  -3   5   2      435.05      436.64      1.11 o
  -2   5   2      365.86      336.55      1.08 o
  -1   5   2      196.32      191.40      1.44 o
   0   5   2       97.28       97.35      1.35 o
   1   5   2      202.43      202.76      1.68 o
   2   5   2      373.51      347.61      0.80 o
   3   5   2      455.43      456.92      1.15 o
   4   5   2      273.28      272.81      2.16 o
   5   5   2      327.70      315.49      7.12 o
  -6   6   2      996.12     1039.29      6.66 o
  -5   6   2       68.32       76.28      0.37 o
  -4   6   2       30.18       29.85      0.85 o
  -3   6   2      101.76      104.84      1.02 o
  -2   6   2      246.65      246.80      1.27 o
  -1   6   2      230.08      219.00      1.30 o
   0   6   2     1612.73     1587.83     20.45 o
   1   6   2      229.50      222.48      1.02 o
   2   6   2      245.02      244.43      2.01 o
   3   6   2      104.63      108.35      1.18 o
   4   6   2       29.82       29.74      0.79 o
   5   6   2       68.47       73.78      0.41 o
   6   6   2     1007.78     1044.52     13.40 o
  -7   7   2       20.06       20.26      0.49 o
  -6   7   2       55.50       57.33      0.72 o
  -5   7   2       94.46       99.21      1.07 o
  -4   7   2      180.12      188.32      1.51 o
  -3   7   2      796.81      803.36      7.51 o
  -2   7   2      440.61      423.67      1.75 o
  -1   7   2       13.75       13.86      0.51 o
   0   7   2      250.04      246.44      1.40 o
   1   7   2       13.44       17.36      2.30 o
   2   7   2      435.95      417.38      3.38 o
   3   7   2      789.48      791.03      5.26 o
   4   7   2      171.88      177.61      1.63 o
   5   7   2       94.55       98.61      0.75 o
   6   7   2       56.58       60.41      0.89 o
   7   7   2       20.63       20.55      1.23 o
  -6   8   2       26.94       26.70      0.78 o
  -5   8   2       31.07       30.17      0.44 o
  -4   8   2       38.82       34.72      1.09 o
  -3   8   2       44.89       47.58      0.62 o
  -2   8   2      128.41      121.23      0.89 o
  -1   8   2       62.35       65.88      0.88 o
   0   8   2      204.99      221.42      1.83 o
   1   8   2       56.51       56.23      0.75 o
   2   8   2      135.27      129.94      1.69 o
   3   8   2       44.82       48.37      0.93 o
   4   8   2       33.65       27.87      0.53 o
   5   8   2       33.73       32.67      0.68 o
   6   8   2       25.11       25.30      0.66 o
  -4   9   2       22.99       26.76      1.13 o
  -3   9   2       37.40       39.28      1.23 o
  -2   9   2       53.37       49.83      1.27 o
  -1   9   2      358.73      365.46      4.90 o
   0   9   2        1.18        1.69      0.33 o
   1   9   2      353.32      360.27      9.52 o
   2   9   2       53.49       47.06      1.42 o
   3   9   2       38.85       43.04      1.61 o
   4   9   2       22.59       26.68      1.15 o
  -1  10   2      129.17      119.05      3.81 o
   0  10   2       85.46       97.82      2.43 o
   1  10   2      127.52      113.44      1.23 o
   0   0   3     1110.46     1233.05      3.60 o
  -1   1   3      818.00      807.89     15.23 o
   0   1   3      300.46      304.25      2.71 o
   1   1   3      792.99      792.16     10.57 o
  -2   2   3     2375.82     2296.19      3.86 o
  -1   2   3     1209.75     1147.06     23.60 o
   0   2   3      622.04      651.61      5.47 o
   1   2   3     1212.71     1186.27     12.97 o
   2   2   3     2396.65     2278.05      3.89 o
  -3   3   3     1325.15     1334.52      2.82 o
  -2   3   3      243.53      235.38      2.96 o
  -1   3   3      467.01      463.66     10.94 o
   0   3   3     1182.99     1117.29     14.00 o
   1   3   3      473.88      472.73      6.23 o
   2   3   3      244.71      234.63      1.45 o
   3   3   3     1294.27     1284.68      2.77 o
  -4   4   3      114.68      129.48      1.08 o
  -3   4   3      516.58      498.77      4.81 o
  -2   4   3      258.37      250.41      5.04 o
  -1   4   3     1337.17     1342.22     13.75 o
   0   4   3      295.63      295.28      1.30 o
   1   4   3     1366.41     1362.85      3.26 o
   2   4   3      252.15      244.27      2.31 o
   3   4   3      513.30      498.04      4.53 o
   4   4   3      109.99      122.32      0.87 o
  -5   5   3      859.99      880.49      2.22 o
  -4   5   3      402.40      409.10      1.18 o
  -3   5   3       80.01       78.84      1.07 o
  -2   5   3      598.55      587.38      7.98 o
  -1   5   3     1090.24     1095.86      4.18 o
   0   5   3        3.11        4.89      0.87 o
   1   5   3     1117.21     1118.74     10.24 o
   2   5   3      596.35      581.17      7.51 o
   3   5   3       80.55       80.28      0.58 o
   4   5   3      405.76      412.70      3.54 o
   5   5   3      847.45      864.33     20.66 o
  -6   6   3      139.86      145.15      3.61 o
  -5   6   3      100.91      104.36      0.55 o
  -4   6   3      259.83      255.70      2.57 o
  -3   6   3       27.66       26.68      0.62 o
  -2   6   3      445.73      452.86      6.33 o
  -1   6   3       63.68       65.19      0.54 o
   0   6   3       60.97       58.61      0.96 o
   1   6   3       62.73       65.19      0.77 o
   2   6   3      415.87      409.71      2.31 o
   3   6   3       27.49       26.05      0.42 o
   4   6   3      275.27      272.31      1.93 o
   5   6   3      100.92      104.35      2.30 o
   6   6   3      130.83      127.00      3.23 o
  -6   7   3       60.12       58.69      1.33 o
  -5   7   3      341.56      341.22      0.87 o
  -4   7   3      318.45      326.24      1.57 o
  -3   7   3       48.83       51.30      0.50 o
  -2   7   3       80.12       84.63      1.16 o
  -1   7   3      155.09      152.82      3.40 o
   0   7   3      378.81      376.25      4.69 o
   1   7   3      157.97      158.60      0.98 o
   2   7   3       71.70       76.16      0.60 o
   3   7   3       49.16       50.67      0.59 o
   4   7   3      333.65      337.61      5.69 o
   5   7   3      341.61      346.70      9.31 o
   6   7   3       57.88       56.01      2.01 o
  -5   8   3      228.71      216.22      3.85 o
  -4   8   3       35.78       35.40      1.44 o
  -3   8   3      103.33      101.06      1.40 o
  -2   8   3      192.48      186.75      5.30 o
  -1   8   3      454.68      465.11      5.47 o
   0   8   3      503.42      495.25      4.19 o
   1   8   3      465.82      477.94      3.65 o
   2   8   3      199.21      194.85      2.80 o
   3   8   3      103.70      104.02      1.44 o
   4   8   3       33.42       34.48      0.88 o
   5   8   3      234.90      229.13      9.11 o
  -3   9   3      434.98      399.16      7.32 o
  -2   9   3       71.91       79.68      0.77 o
  -1   9   3      216.64      224.74      2.06 o
   0   9   3        0.75        0.93      0.43 o
   1   9   3      217.98      223.73      3.51 o
   2   9   3       71.92       79.84      1.09 o
   3   9   3      420.14      385.14     11.09 o
  -1   1   4       22.16       25.22      0.62 o
   0   1   4       86.53       85.26      1.05 o
   1   1   4       21.59       23.10      0.52 o
  -2   2   4      844.99      835.23     16.80 o
  -1   2   4       97.65      104.97      0.75 o
   0   2   4       18.30       20.11      0.36 o
   1   2   4      100.85      105.41      1.30 o
   2   2   4      885.19      883.05      4.33 o
  -3   3   4      395.91      403.34     14.87 o
  -2   3   4        3.13        8.46      2.07 o
  -1   3   4      899.94      920.47      6.37 o
   0   3   4     1241.67     1223.47     19.09 o
   1   3   4      901.40      934.36     10.35 o
   2   3   4        2.68        4.05      0.30 o
   3   3   4      404.22      405.85      6.29 o
  -4   4   4      459.03      463.68      1.74 o
  -3   4   4      293.43      293.57      4.95 o
  -2   4   4      365.95      369.02      7.02 o
  -1   4   4      561.34      579.24      5.42 o
   0   4   4      151.03      144.21      2.61 o
   1   4   4      541.37      548.05      4.65 o
   2   4   4      354.47      355.21      3.91 o
   3   4   4      295.02      297.80      1.83 o
   4   4   4      450.48      442.60      6.19 o
  -5   5   4      171.51      166.71      1.21 o
  -4   5   4       96.22       92.53      5.91 o
  -3   5   4      305.39      311.43      3.90 o
  -2   5   4       45.50       44.75      0.83 o
  -1   5   4      175.06      173.52      2.28 o
   0   5   4        4.41        4.60      0.43 o
   1   5   4      179.51      181.18      2.61 o
   2   5   4       41.41       41.08      0.59 o
   3   5   4      307.29      316.28      2.78 o
   4   5   4       99.37       98.48      0.72 o
   5   5   4      163.24      158.49      2.13 o
  -6   6   4      399.32      396.83     14.48 o
  -5   6   4       19.86       19.93      0.70 o
  -4   6   4       61.48       60.11      0.84 o
  -3   6   4      112.04      112.27      1.81 o
  -2   6   4       98.79       97.57      1.69 o
  -1   6   4        8.35        8.93      0.34 o
   0   6   4      901.22      892.88     14.62 o
   1   6   4        9.86        9.74      0.41 o
   2   6   4       99.37       98.78      1.56 o
   3   6   4      110.23      117.00      1.75 o
   4   6   4       60.62       56.83      1.49 o
   5   6   4       19.88       20.06      0.58 o
   6   6   4      416.48      392.06      4.77 o
  -5   7   4        9.66        8.19      0.62 o
  -4   7   4      322.70      322.33      7.55 o
  -3   7   4      499.73      504.09      7.30 o
  -2   7   4      151.50      155.83      3.28 o
  -1   7   4       11.52       14.35      0.39 o
   0   7   4      298.08      304.93      4.59 o
   1   7   4       12.91       16.62      0.44 o
   2   7   4      160.22      165.60      1.97 o
   3   7   4      506.85      530.03     11.32 o
   4   7   4      312.75      312.11      7.22 o
   5   7   4       10.27        8.65      0.68 o
  -3   8   4       57.26       53.83      0.85 o
  -2   8   4       73.61       69.92      2.32 o
  -1   8   4      107.04      111.32      1.74 o
   0   8   4        5.76        9.00      0.50 o
   1   8   4      100.36      108.10      2.27 o
   2   8   4       79.64       78.91      1.26 o
   3   8   4       57.76       56.73      1.79 o
   0   0   5        9.58       14.89      0.84 o
  -1   1   5      544.06      542.52      1.59 o
   0   1   5        9.35       12.27      1.78 o
   1   1   5      540.78      524.84      6.87 o
  -2   2   5      292.19      303.10      1.29 o
  -1   2   5      185.87      187.07      0.98 o
   0   2   5      495.90      507.66      7.13 o
   1   2   5      179.58      179.62      2.89 o
   2   2   5      296.06      302.72      7.69 o
  -3   3   5      797.45      789.26      9.65 o
  -2   3   5       56.31       58.92      0.96 o
  -1   3   5      149.00      146.01      2.41 o
   0   3   5       46.83       47.56      0.59 o
   1   3   5      147.15      149.56      2.62 o
   2   3   5       55.18       57.44      0.83 o
   3   3   5      793.92      808.23     16.68 o
  -4   4   5       29.40       32.23      0.74 o
  -3   4   5       28.50       28.72      0.59 o
  -2   4   5       83.01       84.61      1.75 o
  -1   4   5       74.47       73.69      2.28 o
   0   4   5      513.54      546.00      7.68 o
   1   4   5       84.49       83.20      1.72 o
   2   4   5       84.40       88.26      1.74 o
   3   4   5       27.67       28.43      0.72 o
   4   4   5       29.97       31.18      0.68 o
  -5   5   5      147.39      133.56      6.17 o
  -4   5   5       91.80       90.39      6.14 o
  -3   5   5       39.41       41.44      0.91 o
  -2   5   5      136.50      133.86      2.01 o
  -1   5   5      232.59      234.21      6.46 o
   0   5   5       51.31       51.82      1.97 o
   1   5   5      238.05      246.93      6.39 o
   2   5   5      138.97      142.70      3.11 o
   3   5   5       38.67       38.91      1.16 o
   4   5   5       92.42       93.46      2.25 o
   5   5   5      137.30      137.78     27.95 o
  -4   6   5      245.37      227.74     10.40 o
  -3   6   5        4.36        4.49      0.41 o
  -2   6   5      448.10      461.10      9.80 o
  -1   6   5        0.17        0.61      0.44 o
   0   6   5       64.92       67.55      1.69 o
   1   6   5        0.22        1.13      0.35 o
   2   6   5      441.62      452.24      6.63 o
   3   6   5        3.96        5.56      0.42 o
   4   6   5      248.06      231.68     10.19 o
  -2   7   5      176.59      164.61      1.54 o
  -1   7   5       94.20       89.33      3.09 o
   0   7   5       28.92       25.52      0.51 o
   1   7   5       94.31       93.07      1.45 o
   2   7   5      174.50      166.75      4.56 o
   0   0   6      223.50      215.43      1.67 o
  -1   1   6      119.86      124.24      3.24 o
   0   1   6      241.59      243.96      4.27 o
   1   1   6      114.45      121.51      5.51 o
  -2   2   6      158.76      159.65      1.10 o
  -1   2   6      503.83      498.92      3.95 o
   0   2   6       20.41       21.22      0.54 o
   1   2   6      508.48      521.46     10.86 o
   2   2   6      165.34      165.71      5.30 o
  -3   3   6        0.63        0.93      0.59 o
  -2   3   6       85.94       84.49      3.18 o
  -1   3   6       79.56       80.85      3.30 o
   0   3   6      162.71      163.82      3.35 o
   1   3   6       67.43       64.92      2.49 o
   2   3   6       86.98       87.95      2.23 o
   3   3   6        1.40        2.15      0.65 o
  -3   4   6      158.76      147.03      4.19 o
  -2   4   6      104.93       96.19      1.20 o
  -1   4   6      275.24      275.16      7.08 o
   0   4   6      100.70      106.11      3.66 o
   1   4   6      270.50      260.68      5.59 o
   2   4   6      101.57       94.17      3.66 o
   3   4   6      158.14      154.62      5.14 o
  -1   5   6       20.03       17.62      0.92 o
   0   5   6       48.45       48.26      1.84 o
   1   5   6       21.38       19.34      0.96 o