Generated summary
PXD016793 is a DDA label-free dataset (Rattus norvegicus) with 24 runs, 24 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.13. At 1% FDR the search reports 2,314,854 PSMs, 68,434 peptidoforms and 5,609 protein groups, and the repository holds 42,538 PTM sites for it. 6 open warnings about it are recorded.
Written from catalog fields only (D17), with no model involved. It says nothing the tables below do not.
Written from catalog fields only (D17), with no model involved. It says nothing the tables below do not.
Open findings
Recorded against this dataset: 0 errors, 6 warnings and 1 for information
count_mismatch warning
The bundle holds 2.31485e+06 where the producer reported 2.3152e+06 (results.txt: All target PSMs with q-value <= 0.01 (pxreprise:DEF-PSM-1PCT v1)). Both numbers are kept; treat the producer's as canonical until the difference is explained.
The bundle holds 2.31485e+06 where the producer reported 2.3152e+06 (results.txt: All target PSMs with q-value <= 0.01 (pxreprise:DEF-PSM-1PCT v1)). Both numbers are kept; treat the producer's as canonical until the difference is explained.
low_core_use warning
11.33 avg cores of 32 allowed (S5)
11.33 avg cores of 32 allowed (S5)
no_sdrf warning
No SDRF was found for this dataset, so each run was given a synthetic sample of its own. There is no sample metadata: treat every sample as unannotated.
No SDRF was found for this dataset, so each run was given a synthetic sample of its own. There is no sample metadata: treat every sample as unannotated.
occupancy_not_stored warning
Of 460127 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 9620 site not in ptm_sites. 'site not in ptm_sites' means the entry's site has no ptm_sites row to key on; 'not determinable' means a cell's segments could not be assigned to its accessions from the sequences (QuantProject DEF-OCC-ACCESSION), which is never guessed. Absence of a row for these sites is therefore not NA. A 'duplicate' is a second entry for a (site, run) that already has a row: one with identical values loses nothing; one with DIFFERENT values means MetaMorpheus wrote two answers and the first in file order was stored (examples in bundle.json occupancy.differing_duplicates; which one should be stored is QuantProject's to define).
Of 460127 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 9620 site not in ptm_sites. 'site not in ptm_sites' means the entry's site has no ptm_sites row to key on; 'not determinable' means a cell's segments could not be assigned to its accessions from the sequences (QuantProject DEF-OCC-ACCESSION), which is never guessed. Absence of a row for these sites is therefore not NA. A 'duplicate' is a second entry for a (site, run) that already has a row: one with identical values loses nothing; one with DIFFERENT values means MetaMorpheus wrote two answers and the first in file order was stored (examples in bundle.json occupancy.differing_duplicates; which one should be stored is QuantProject's to define).
peptide_rows_localization_ambiguous warning
1578 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 8374 value(s) are not stored, since storing them under one of the sequences would place them on a site the search never decided. The PSMs behind them are in `psms`. E.g. `AAAEVNQ[Common Artifact:Deamidation on Q]EYGLDPK|AAAEVN[Common Artifact:Deamidation on N]QEYGLDPK`, `AADAHVDAHYYEQNEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]N[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`, `AADAHVDAHYYEQNE[Metal:Fe[III] on E]QPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYE[Metal:Fe[III] on E]QNEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`.
1578 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 8374 value(s) are not stored, since storing them under one of the sequences would place them on a site the search never decided. The PSMs behind them are in `psms`. E.g. `AAAEVNQ[Common Artifact:Deamidation on Q]EYGLDPK|AAAEVN[Common Artifact:Deamidation on N]QEYGLDPK`, `AADAHVDAHYYEQNEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]N[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`, `AADAHVDAHYYEQNE[Metal:Fe[III] on E]QPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYE[Metal:Fe[III] on E]QNEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`.
unplaced_ptm_sites warning
Some modifications on peptides shared between proteins were not written to ptm_sites for one or more of those proteins, because the peptide could not be located in that protein's sequence and the producer's residue spans cannot be paired with its accessions. Of the (PSM, protein) pairs affected: 9529 named a protein that does not contain the stored peptide -- typically a PSM ambiguous between peptide sequences (level 4 or 5), where this protein carries a different candidate than the first, which is the one stored. Sites on the other proteins of the same PSMs are written. Counts are in bundle.json under protein_databases.
Some modifications on peptides shared between proteins were not written to ptm_sites for one or more of those proteins, because the peptide could not be located in that protein's sequence and the producer's residue spans cannot be paired with its accessions. Of the (PSM, protein) pairs affected: 9529 named a protein that does not contain the stored peptide -- typically a PSM ambiguous between peptide sequences (level 4 or 5), where this protein carries a different candidate than the first, which is the one stored. Sites on the other proteins of the same PSMs are written. Counts are in bundle.json under protein_databases.
occupancy_decoy_groups info
44 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
44 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
What was found
| PSMs at 1% FDR | 2,314,854 |
| Peptidoforms at 1% FDR | 68,434 |
| Protein groups at 1% FDR | 5,609 |
| PTM sites | 42,538 |
| Quantitative values | 1,555,038 |
| PSMs, all (including decoys and sub-threshold) | 4,740,896 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 60.8% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 0.2% |
How it was measured
- Organism searched
- Rattus norvegicus (the protein database's organism, not a statement about the samples)
- Acquisition
- DDA
- Quantification
- label_free
- Labelling
- none
- Enrichment
- none
- Instrument vendor
- not recorded
- Runs / samples
- 24 / 24
- Sample metadata
- absent
- Search engine
- MetaMorpheus 1.1.13
- Protein database
- UP000002494_all_genecentric_2026_03_agingPTM-v6.xml
- Pipeline commit
- 314f6ae55a6e
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Carbamidomethyl on C | UNIMOD:4 | 14,704 |
| Oxidation on M | UNIMOD:35 | 12,489 |
| Deamidation on N | UNIMOD:7 | 3,607 |
| Deamidation on Q | UNIMOD:7 | 2,129 |
| Ammonia loss on N | UNIMOD:385 | 748 |
| Hydroxylation on P | UNIMOD:35 | 583 |
| Sodium on E | UNIMOD:30 | 575 |
| Magnesium on E | UNIMOD:956 | 486 |
| Sodium on D | UNIMOD:30 | 460 |
| Fe[III] on E | UNIMOD:1870 | 450 |
| Ammonia loss on C | UNIMOD:385 | 440 |
| Magnesium on D | UNIMOD:956 | 392 |
| Hydroxylation on N | UNIMOD:35 | 379 |
| N6-acetyllysine on K | UNIMOD:1 | 372 |
| Fe[III] on D | UNIMOD:1870 | 332 |
| Water Loss on E | UNIMOD:27 | 320 |
| Citrullination on R | UNIMOD:7 | 256 |
| Phosphoserine on S | UNIMOD:21 | 251 |
| Hydroxylation on K | UNIMOD:35 | 223 |
| Calcium on D | UNIMOD:951 | 219 |
| Calcium on E | UNIMOD:951 | 219 |
| Fe[II] on E | UNIMOD:952 | 199 |
| Fe[II] on D | UNIMOD:952 | 185 |
| Acetylation on X | UNIMOD:1 | 168 |
| Potassium on E | UNIMOD:530 | 148 |
| N-acetylalanine on A | UNIMOD:1 | 133 |
| Potassium on D | UNIMOD:530 | 129 |
| Methylation on K | UNIMOD:34 | 120 |
| Carbamyl on X | UNIMOD:5 | 103 |
| N6-succinyllysine on K | — | 87 |
| Formylation on K | UNIMOD:122 | 67 |
| Acetylation on K | UNIMOD:1 | 65 |
| 4-hydroxyproline on P | UNIMOD:35 | 64 |
| N-acetylserine on S | UNIMOD:1 | 61 |
| N-acetylmethionine on M | UNIMOD:1 | 60 |
| Phosphothreonine on T | UNIMOD:21 | 57 |
| Carbamyl on K | UNIMOD:5 | 53 |
| Deamidated asparagine on N | UNIMOD:7 | 46 |
| Methylation on R | UNIMOD:34 | 45 |
| Carboxylation on D | UNIMOD:299 | 42 |
| Dimethylation on K | UNIMOD:36 | 41 |
| Carboxylation on E | UNIMOD:299 | 40 |
| Phosphorylation on S | UNIMOD:21 | 33 |
| Carbamyl on M | UNIMOD:5 | 32 |
| Trimethylation on K | UNIMOD:37 | 31 |
| Nitrosylation on Y | UNIMOD:354 | 25 |
| Phosphorylation on T | UNIMOD:21 | 25 |
| N6-methyllysine on K | UNIMOD:34 | 20 |
| Omega-N-methylarginine on R | UNIMOD:34 | 19 |
| Carboxylation on K | UNIMOD:299 | 18 |
| Phosphotyrosine on Y | UNIMOD:21 | 18 |
| Dimethylation on R | UNIMOD:36 | 16 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 15 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 13 |
| Nitrosylation on C | UNIMOD:275 | 13 |
| Glutarylation on K | UNIMOD:1848 | 12 |
| Malonylation on K | UNIMOD:747 | 12 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 11 |
| N-acetylthreonine on T | UNIMOD:1 | 10 |
| N-acetylvaline on V | UNIMOD:1 | 10 |
| 5-hydroxylysine on K | UNIMOD:35 | 9 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 9 |
| HexNAc on S | UNIMOD:43 | 9 |
| Crotonylation on K | UNIMOD:1363 | 8 |
| S-nitrosocysteine on C | UNIMOD:275 | 8 |
| Carbamyl on C | UNIMOD:5 | 7 |
| Hydroxybutyrylation on K | — | 7 |
| N6-glutaryllysine on K | — | 7 |
| Succinylation on K | UNIMOD:64 | 7 |
| Glu to PyroGlu on Q | UNIMOD:28 | 6 |
| Citrulline on R | UNIMOD:7 | 5 |
| Butyrylation on K | UNIMOD:1289 | 4 |
| Cu[I] on D | UNIMOD:531 | 4 |
| Cysteine persulfide on C | UNIMOD:421 | 4 |
| Phosphorylation on Y | UNIMOD:21 | 4 |
| Tele-methylhistidine on H | UNIMOD:34 | 4 |
| 3'-nitrotyrosine on Y | — | 3 |
| N-acetylcysteine on C | UNIMOD:1 | 3 |
| N-acetylglycine on G | UNIMOD:1 | 3 |
| N5-methylglutamine on Q | UNIMOD:34 | 3 |
| N6-benzoyllysine on K | UNIMOD:136 | 3 |
| N6-crotonyllysine on K | — | 3 |
| N6-isonicotinyllysine on K | UNIMOD:697 | 3 |
| N6-malonyllysine on K | — | 3 |
| N6-methacryllysine on K | — | 3 |
| Pros-methylhistidine on H | UNIMOD:34 | 3 |
| Tele-8alpha-FAD histidine on H | UNIMOD:50 | 3 |
| 3-hydroxyproline on P | UNIMOD:35 | 2 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 2 |
| Carbamyl on R | UNIMOD:5 | 2 |
| HexNAc on T | UNIMOD:43 | 2 |
| Leucine methyl ester on L | UNIMOD:34 | 2 |
| N-myristoyl glycine on G | UNIMOD:45 | 2 |
| N6-(2-hydroxyisobutyryl)lysine on K | UNIMOD:1849 | 2 |
| N6-(beta-hydroxybutyryl)lysine on K | UNIMOD:1849 | 2 |
| N6-butyryllysine on K | UNIMOD:1289 | 2 |
| N6-propionyllysine on K | UNIMOD:58 | 2 |
| Pyridoxal phosphate on K | UNIMOD:46 | 2 |
| Zinc on D | UNIMOD:954 | 2 |
| (3S)-3-hydroxyhistidine on H | — | 1 |
| 4-carboxyglutamate on E | UNIMOD:299 | 1 |
| 4-hydroxylysine on K | UNIMOD:35 | 1 |
| Allysine on K | UNIMOD:352 | 1 |
| Cu[I] on E | UNIMOD:531 | 1 |
| Dimethylated arginine on R | UNIMOD:36 | 1 |
| Diphthamide on H | UNIMOD:375 | 1 |
| HexNAc on Nxt | UNIMOD:43 | 1 |
| N-acetylaspartate on D | UNIMOD:1 | 1 |
| N-acetylglutamate on E | UNIMOD:1 | 1 |
| N-acetylproline on P | UNIMOD:1 | 1 |
| N6-acetyl-N6-methyllysine on K | — | 1 |
| N6-biotinyllysine on K | UNIMOD:3 | 1 |
| O-AMP-threonine on T | UNIMOD:405 | 1 |
| Pros-8alpha-FAD histidine on H | UNIMOD:50 | 1 |
| S-(2-succinyl)cysteine on C | UNIMOD:957 | 1 |
| S-palmitoyl cysteine on C | UNIMOD:47 | 1 |
| Sulfonation on Y | UNIMOD:40 | 1 |
| Symmetric dimethylarginine on R | UNIMOD:36 | 1 |
Every modification with a site on a target protein, most frequent first. A dash in the UNIMOD
column means the modification has no UNIMOD term in the registry that searched it, not that it is
unknown. One chemistry can appear under two names (UniProt's and MetaMorpheus's); the catalog's
ptm_sites_by_chemistry view merges them.
Data
The Parquet files for this dataset are not published yet.
- Bundle
5c0c9c933029845e, written 2026-10-31T21:49:02+00:00 by ingester 1.4.0- Reconciliation
- failed: psms_target_1pct (the bundle disagrees with the producer's own count here)
- Licence
- CC-BY-4.0
- Credit
- NCEMS Aging Proteome Working Group