| Nr of samples | Nr of features | Selected features | Selected networks | Non-blank | Blank & MS1 |
|---|---|---|---|---|---|
| 11 | 143 | 94 | 43 | 94 | 49 |
| Filename | Group | Selected features | Selected networks | Diversity-score | Spec score | Mean novelty score | Total | Non-blank | Blank & MS1 |
|---|---|---|---|---|---|---|---|---|---|
| 5458_5457_mod.mzXML | C | 34 | 34 | 0.36 | 0.43 | 0.26 | 48 | 34 | 14 |
| 5440_5439_mod.mzXML | A2 | 16 | 16 | 0.21 | 0.25 | 0.19 | 23 | 16 | 7 |
| 5444_5443_mod.mzXML | C | 12 | 12 | 0.08 | 0.0 | 0.21 | 20 | 12 | 8 |
| 5434_5433_mod.mzXML | S | 39 | 39 | 0.44 | 0.29 | 0.19 | 53 | 39 | 14 |
| 5432_5431_mod2.mzXML | A2 | 30 | 30 | 0.38 | 0.53 | 0.25 | 41 | 30 | 11 |
| D3_H3_mod.mzXML | BLANK | 0 | 0 | 0.0 | 0 | 0 | 41 | 0 | 41 |
| 5425_5426_mod.mzXML | C | 16 | 16 | 0.08 | 0.33 | 0.21 | 25 | 16 | 9 |
| 5450_5449_mod.mzXML | V2 | 27 | 27 | 0.26 | 0.5 | 0.17 | 31 | 27 | 4 |
| 5456_5455_mod.mzXML | S | 29 | 29 | 0.21 | 0.38 | 0.17 | 43 | 29 | 14 |
| 5452_5451_mod.mzXML | S | 31 | 31 | 0.23 | 0.22 | 0.17 | 44 | 31 | 13 |
| 5446_5445_mod.mzXML | S | 18 | 18 | 0.15 | 0.5 | 0.15 | 28 | 18 | 10 |
| Attribute | Description |
|---|---|
| Feature ID | None |
| Precursor m/z | None |
| Retention time (min) | None |
| Feature intensity (absolute) | None |
| Feature intensity (relative) | None |
| |
|
| Blank-associated | None |
| Novelty score | None |
| QuantData-associated | None |
| QuantData-trend | None |
| Peak overlap (%) | None |
| |
|
| Spectral library: best match | None |
| MS2Query: best match/analog | None |
| MS2Query: m/z difference to best match/analog | None |
| MS2Query: predicted class of best match/analog | None |
| MS2Query: predicted superclass of best match/analog | None |
| |
|
| Feature found in groups | None |
| Fold-differences across groups | None |
| Intensity per sample (highest to lowest) | None |
| QuantData per sample (highest to lowest) | None |
| Original QuantData (highest to lowest) | None |
| Putative adducts | None |
| |
|
| Spectral similarity network ID | None |
| Groups in network | None |
| Number of features in network | None |
| IDs of features in network | None |
Main Chromatogram
Sample Chromatogram overview: 5458_5457_mod.mzXML
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Cytoscape view - spectral similarity networking
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