 The ROGUES file contains all rejected reflections (flag "*", "@" for I+- rejects, "#" for Emax rejects)
    TotFrc = total fraction, fulls (f) or partials (p)
    Flag I+ or I- for Bijvoet classes
    DelI/sd = (Ihl - Mn(I)others)/sqrt[sd(Ihl)**2 + sd(Mn(I))**2]
   h   k   l     h   k   l  Batch      I  sigI    E  TotFrc Flag Scale   LP   DelI/sd d(A)   Xdet   Ydet    Phi
   (measured)     (unique)

   3   0  20     3   0  20     29   1225    60  0.39  1.00p *I+  1.018  0.091    7.6 10.71 1286.7 1007.8   23.7
  -3   0 -20     3   0  20     34    790    59  0.31  1.00p  I-  1.019  0.091    2.8 10.71  838.6  990.2   28.9
   0   3  20     3   0  20     16    561    58  0.27  1.00p  I+  1.000  0.085   -2.8 10.71 1270.4  914.8   10.4
                    Weighted mean    674

   4   0  19     4   0  19     38     24    28  0.05  1.01p  I+  1.027  0.096   -0.6 10.22 1297.4 1007.9   32.3
  -4   0 -19     4   0  19     43     65    29  0.09  1.00p  I-  1.059  0.096    1.2 10.22  827.8  990.1   37.8
   0   4  19     4   0  19     21    366    29  0.21  1.00p *I+  1.009  0.084    9.8 10.22 1267.7  884.1   15.7
   0  -4 -19     4   0  19     27    254    29  0.18  0.98p *I-  1.017  0.084    6.4 10.22  857.5 1113.8   22.0
   4  -4  19     4   0  19     21     24    28  0.05  1.00p  I+  1.008  0.080   -0.6 10.22 1258.1 1129.5   15.2
  -4   4 -19     4   0  19     27    338    29  0.21  1.00p *I-  1.017  0.080    9.0 10.22  867.0  868.4   21.8
                    Weighted mean     37

   0   7 -70     7   0  70      2    154    33  0.43  1.15f *I-  1.251  0.284    6.0  3.27  346.6  752.6   -3.5
  -7   0 -70     7   0  70     32    -39    83  0.00  0.99p  I-  1.231  0.298    1.0  3.27  305.8  969.3   26.3
   0   7  70     7   0  70      5   -276    80  0.00  1.00p  I+  1.235  0.288   -2.2  3.27 1793.9  802.6   -0.6
   0  -7 -70     7   0  70     23    -84    68  0.00  0.99p  I-  1.264  0.290    0.5  3.27  331.1 1195.4   17.2
   7  -7 -70     7   0  70      3   -283    67  0.00  0.97p  I-  1.247  0.289   -2.8  3.27  332.5 1200.1   -2.9
   7  -7  70     7   0  70      4    -43    78  0.00  1.01p  I+  1.237  0.282    1.0  3.27 1777.0 1250.0   -1.2
  -7   7 -70     7   0  70     23     31    67  0.19  0.99p  I-  1.262  0.284    2.4  3.27  347.8  747.7   17.1
                    Weighted mean   -115

   9   0   1     9   0   1     88    321    51  0.20  1.21f  I+  1.027  0.130    0.1  7.53 1382.2 1005.0   82.5
  -9   0   1     9   0   1     99    291    51  0.19  1.33f  I+  1.029  0.130   -0.5  7.53  742.9  993.8   93.5
  -9   0  -1     9   0   1     95    707    44  0.30  1.02p *I-  1.020  0.130    8.3  7.53  742.9  993.1   90.0
   0   9   1     9   0   1     80    290    41  0.19  1.01p  I+  1.095  0.068   -0.7  7.53 1227.4  725.1   74.0
   0  -9  -1     9   0   1     94    353    41  0.21  0.98p  I-  1.022  0.068    1.0  7.53  897.8 1272.9   88.4
   9  -9  -1     9   0   1     93    309    40  0.20  0.99p  I-  1.024  0.064   -0.2  7.53 1217.7 1278.6   87.5
   9   0  -1     9   0   1     92    679    44  0.29  1.03p *I-  1.027  0.130    7.6  7.53 1382.3 1004.2   86.0
   0   9  -1     9   0   1     86    307    40  0.20  0.96p  I-  1.023  0.067   -0.3  7.53 1226.2  724.4   80.8
   9  -9   1     9   0   1     86    343    40  0.21  1.02p  I+  1.021  0.063    0.7  7.53 1216.4 1279.3   80.2
                    Weighted mean    318

  10   3  19    10   3  19     63    496    68  0.41  1.09f  I+  1.063  0.183   -0.4  5.25 1517.9  919.6   57.5
 -10  -3 -19    10   3  19     74    592    62  0.45  1.00p  I-  1.160  0.184   -1.2  5.25  607.5 1078.3   68.4
  -3  13  19    10   3  19     26    540    55  0.43  1.02p  I+  1.091  0.098    0.4  5.25 1302.3  603.8   20.8
   3 -13 -19    10   3  19     47    636    56  0.47  0.99p  I-  1.113  0.099   -0.4  5.25  823.0 1394.1   41.2
  13 -10  19    10   3  19     54    498    57  0.41  0.96p  I+  1.086  0.135   -0.5  5.25 1393.8 1321.4   48.1
 -13  10 -19    10   3  19     68    531    55  0.43  0.97p  I-  1.068  0.136   -2.6  5.25  731.6  676.6   63.0
  -3 -10 -19    10   3  19     66    981    61  0.58  1.00p *I+  1.053  0.144    6.8  5.25  710.4 1298.1   60.5
   3  10  19    10   3  19     52    815    61  0.53  0.99p  I-  1.091  0.143    2.8  5.25 1414.8  700.0   46.5
 -10  13 -19    10   3  19     49    546    54  0.43  1.02p  I+  1.104  0.086    0.5  5.25  854.9  586.2   43.7
  10 -13  19    10   3  19     26    727    54  0.50  1.01p  I-  1.090  0.085    1.5  5.25 1270.3 1411.6   20.2
                    Weighted mean    598 I+ :    523 I- :    658

  11   0   1    11   0   1     87   2489    83  0.92  1.03p *I+  1.054  0.158   18.4  6.16 1454.5 1006.3   82.0
   0  11   1    11   0   1     79    806    80  0.53  0.97p  I+  1.128  0.083    0.0  6.16 1263.8  662.8   73.0
   0 -11  -1    11   0   1     96    830    76  0.53  1.01p  I-  1.046  0.083    0.4  6.16  861.3 1335.4   90.7
  11 -11  -1    11   0   1     91    793    75  0.52  1.00p  I-  1.053  0.078   -0.2  6.16 1251.8 1342.2   85.2
 -11   0   1    11   0   1    100   2502    83  0.93  0.99p *I+  1.057  0.159   18.5  6.16  670.7  992.5   94.0
   0  11  -1    11   0   1     84    795    75  0.52  1.01p  I-  1.052  0.082   -0.2  6.16 1262.7  662.0   78.6
                    Weighted mean    806

 -11  -2  -1    11   2   1     97    195    43  0.26  1.18f  I-  1.065  0.174   -0.6  5.59  633.1 1053.1   91.5
  13  -2  -1    11   2   1     90    236    44  0.28  1.14f  I+  1.070  0.173    1.1  5.59 1489.9 1068.2   84.5
  11   2   1    11   2   1     87    447    39  0.39  0.95p *I+  1.074  0.173    6.1  5.59 1492.1  944.9   81.3
  -2  13   1    11   2   1     72    161    35  0.23  1.03p  I+  1.133  0.068   -1.0  5.59 1228.2  599.1   66.9
   2 -13  -1    11   2   1     98    171    32  0.24  0.99p  I-  1.069  0.069   -1.7  5.59  896.9 1398.9   92.8
  13 -11  -1    11   2   1     90    301    34  0.32  0.98p  I-  1.070  0.107    2.6  5.59 1323.5 1344.3   84.5
  -2  13  -1    11   2   1     79    161    34  0.24  0.99p  I-  1.122  0.067   -1.9  5.59 1226.6  598.5   73.6
  13 -11   1    11   2   1     86    178    34  0.25  1.02p  I+  1.069  0.107   -0.4  5.59 1322.5 1345.1   80.1
  -2 -11  -1    11   2   1     97    217    37  0.27  1.01p  I+  1.065  0.112    0.8  5.59  789.7 1335.1   91.4
  11 -13  -1    11   2   1     88    207    32  0.27  1.00p  I+  1.072  0.062    0.6  5.59 1214.0 1404.6   82.7
 -13   2   1    11   2   1    100    412    39  0.38  0.97p  I-  1.077  0.173    5.3  5.59  635.2  929.8   94.7
   2  11  -1    11   2   1     85    167    34  0.24  1.00p  I+  1.067  0.112   -0.8  5.59 1334.6  662.4   79.6
  11 -13   1    11   2   1     81    133    33  0.21  1.00p  I-  1.091  0.061   -3.0  5.59 1212.2 1405.2   75.2
                    Weighted mean    206 I+ :    191 I- :    220

  15   1   1    15   1   1     86   2094   109  1.01  1.01f *I+  1.143  0.223    6.8  4.37 1620.5  977.9   80.4
  15   1  -1    15   1   1     88   1504   108  0.85  1.15f  I-  1.141  0.223    2.0  4.37 1620.5  977.2   82.5
 -16   1  -1    15   1   1     99   1552   107  0.87  1.24f  I+  1.136  0.223    3.1  4.37  505.7  957.5   93.5
  -1  16   1    15   1   1     74   1084    89  0.73  0.97p  I+  1.158  0.106   -2.5  4.37 1318.4  503.0   68.2
  16 -15  -1    15   1   1     86   1261    86  0.78  1.00p  I-  1.145  0.121   -0.8  4.37 1356.4 1473.7   80.9
  16 -15   1    15   1   1     83   1241    85  0.78  1.03p  I+  1.127  0.121   -0.3  4.37 1355.2 1474.4   77.1
  15 -16   1    15   1   1     80   1243    90  0.78  0.97p  I-  1.138  0.098   -1.0  4.37 1299.1 1504.7   74.8
                    Weighted mean   1288 I+ :   1262 I- :   1314

  -1  16  17    15   1  17     45    313    50  0.39  1.01p  I+  1.158  0.130    0.8  4.18 1379.0  507.1   39.9
   1 -16 -17    15   1  17     70    506    59  0.50  0.99p  I-  1.105  0.132   -3.0  4.18  746.4 1490.8   64.5
  -1 -15 -17    15   1  17     74    258    55  0.35  0.97p  I+  1.158  0.149   -0.5  4.18  700.9 1458.6   68.1
   1  15  17    15   1  17     52    797    76  0.62  1.01p  I-  1.125  0.148    3.0  4.18 1424.3  539.5   46.5
 -15  16 -17    15   1  17     75    270    53  0.36  0.99p  I+  1.175  0.117   -0.3  4.18  781.4  486.3   69.6
  15 -16  17    15   1  17     48    159    47  0.28  0.99p *I-  1.151  0.116   -6.8  4.18 1343.9 1511.6   42.0
                    Weighted mean    381 I+ :    282 I- :    613
