Keep key validation outputs and analysis tables tracked directly, package analysis plot PNGs into a small tar.gz backup, and add analysis scripts plus tests so the stored results remain reproducible without flooding git with large image trees.
2.1 KiB
2.1 KiB
| 1 | cleavage_position | total_fragments | unique_fragments | normalized_unique_ratio | shannon_entropy | normalized_shannon_entropy | mean_pairwise_tanimoto_distance | mean_atom_count | median_atom_count | std_atom_count | iqr_atom_count | min_atom_count | max_atom_count | atom_count_range |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 3 | 1048 | 121 | 0.11545801526717557 | 2.1513093369119027 | 0.4485828387328402 | 0.7727580364590483 | 5.097328244274809 | 2.0 | 7.125515417214252 | 5.0 | 1 | 39 | 38 |
| 3 | 4 | 595 | 70 | 0.11764705882352941 | 2.4817848918166048 | 0.584156213064148 | 0.7382343170047687 | 6.894117647058824 | 2.0 | 6.017946467329047 | 12.5 | 1 | 18 | 17 |
| 4 | 5 | 54 | 2 | 0.037037037037037035 | 0.0922160573371918 | 0.13303964861069892 | 0.8 | 1.0 | 1.0 | 0.0 | 0.0 | 1 | 1 | 0 |
| 5 | 6 | 536 | 68 | 0.12686567164179105 | 1.3059540474767763 | 0.30950388972503856 | 0.8133239394372517 | 2.9402985074626864 | 1.0 | 4.444116006032291 | 0.0 | 1 | 20 | 19 |
| 6 | 7 | 23 | 4 | 0.17391304347826086 | 1.1877750348323688 | 0.8567985762221871 | 0.86 | 2.5652173913043477 | 1.0 | 3.4113122166840055 | 0.0 | 1 | 10 | 9 |
| 7 | 8 | 123 | 4 | 0.032520325203252036 | 0.2372288446747181 | 0.171124438884017 | 0.7915343915343915 | 1.016260162601626 | 1.0 | 0.1795993661331262 | 0.0 | 1 | 3 | 2 |
| 8 | 9 | 734 | 41 | 0.055858310626702996 | 1.472202321733401 | 0.39643833357458974 | 0.8284402664223979 | 2.310626702997275 | 1.0 | 3.280936828670794 | 0.0 | 1 | 17 | 16 |
| 9 | 10 | 993 | 7 | 0.007049345417925478 | 0.14975384152906807 | 0.07695825092529042 | 0.8712928851639762 | 1.0433031218529707 | 1.0 | 0.6755237166842796 | 0.0 | 1 | 14 | 13 |
| 10 | 11 | 249 | 8 | 0.0321285140562249 | 0.41116030451725305 | 0.1977263107791457 | 0.8041654723607728 | 1.3895582329317269 | 1.0 | 3.5978646341022595 | 0.0 | 1 | 41 | 40 |
| 11 | 12 | 930 | 99 | 0.1064516129032258 | 2.251679166978565 | 0.49001532939616665 | 0.8394325303461457 | 3.6268817204301076 | 3.0 | 3.4290862065303043 | 2.0 | 1 | 21 | 20 |
| 12 | 13 | 876 | 198 | 0.22602739726027396 | 3.9101740989981857 | 0.7394055701617327 | 0.5841396079985519 | 15.501141552511415 | 13.0 | 9.597433474135945 | 11.0 | 1 | 36 | 35 |
| 13 | 14 | 1065 | 6 | 0.005633802816901409 | 0.6717715558650733 | 0.3749228439431623 | 0.848458035826457 | 1.267605633802817 | 1.0 | 0.5852108438838486 | 1.0 | 1 | 14 | 13 |
| 14 | 15 | 747 | 13 | 0.01740294511378849 | 0.8945290630874894 | 0.3487511597393803 | 0.8168500968741627 | 2.0174029451137887 | 1.0 | 1.7641278118940684 | 3.0 | 1 | 13 | 12 |
| 15 | 16 | 135 | 8 | 0.05925925925925926 | 0.8626190356587518 | 0.4148320683071004 | 0.9006253315127155 | 1.9851851851851852 | 2.0 | 1.4141359627921224 | 0.5 | 1 | 13 | 12 |