Generated summary
PXD057499 is a DDA label-free dataset (Rattus norvegicus) with 8 runs, 8 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.12. At 1% FDR the search reports 249,655 PSMs, 19,847 peptidoforms and 2,865 protein groups, and the repository holds 6,985 PTM sites for it. 5 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, 5 warnings and 1 for information
count_mismatch warning
The bundle holds 249655 where the producer reported 249660 (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 249655 where the producer reported 249660 (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.
cysteine_poor warning
0.52% of 1% target peptides contain C (whole proteomes: 12-26%); check the alkylant (aging PXR-A37)
0.52% of 1% target peptides contain C (whole proteomes: 12-26%); check the alkylant (aging PXR-A37)
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 27221 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 2823 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 27221 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 2823 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).
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: 530 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: 530 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
14 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
14 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 | 249,655 |
| Peptidoforms at 1% FDR | 19,847 |
| Protein groups at 1% FDR | 2,865 |
| PTM sites | 6,985 |
| Quantitative values | 224,979 |
| PSMs, all (including decoys and sub-threshold) | 375,011 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 34.5% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 1.5% |
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
- 8 / 8
- Sample metadata
- absent
- Search engine
- MetaMorpheus 1.1.12
- Protein database
- UP000002494_all_genecentric_2026_03_agingPTM-v3.xml
- Pipeline commit
- 2eb9a52d7f0c
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Oxidation on M | UNIMOD:35 | 1,633 |
| Hydroxylation on P | UNIMOD:35 | 788 |
| Hydroxylation on N | UNIMOD:35 | 566 |
| Deamidation on N | UNIMOD:7 | 506 |
| Carbamyl on K | UNIMOD:5 | 388 |
| Carbamidomethyl on C | UNIMOD:4 | 384 |
| Carbamyl on X | UNIMOD:5 | 371 |
| Deamidation on Q | UNIMOD:7 | 343 |
| Hydroxylation on K | UNIMOD:35 | 251 |
| Phosphoserine on S | UNIMOD:21 | 116 |
| N-acetylalanine on A | UNIMOD:1 | 113 |
| Acetylation on X | UNIMOD:1 | 99 |
| Formylation on K | UNIMOD:122 | 96 |
| Water Loss on E | UNIMOD:27 | 82 |
| Citrullination on R | UNIMOD:7 | 78 |
| Ammonia loss on N | UNIMOD:385 | 74 |
| Phosphorylation on T | UNIMOD:21 | 71 |
| Acetylation on K | UNIMOD:1 | 64 |
| Phosphorylation on S | UNIMOD:21 | 64 |
| Carbamyl on M | UNIMOD:5 | 57 |
| N-acetylmethionine on M | UNIMOD:1 | 54 |
| Methylation on R | UNIMOD:34 | 53 |
| Dimethylation on K | UNIMOD:36 | 51 |
| N-acetylserine on S | UNIMOD:1 | 51 |
| Methylation on K | UNIMOD:34 | 48 |
| N6-acetyllysine on K | UNIMOD:1 | 41 |
| Dimethylation on R | UNIMOD:36 | 38 |
| Phosphothreonine on T | UNIMOD:21 | 30 |
| Phosphorylation on Y | UNIMOD:21 | 24 |
| Carboxylation on D | UNIMOD:299 | 22 |
| Carboxylation on E | UNIMOD:299 | 21 |
| 4-hydroxyproline on P | UNIMOD:35 | 20 |
| Sodium on E | UNIMOD:30 | 17 |
| Magnesium on D | UNIMOD:956 | 15 |
| Carbamyl on R | UNIMOD:5 | 11 |
| Carboxylation on K | UNIMOD:299 | 10 |
| Deamidated asparagine on N | UNIMOD:7 | 10 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 10 |
| Magnesium on E | UNIMOD:956 | 9 |
| N-acetylthreonine on T | UNIMOD:1 | 8 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 8 |
| Omega-N-methylarginine on R | UNIMOD:34 | 8 |
| Sodium on D | UNIMOD:30 | 8 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 7 |
| N6-methyllysine on K | UNIMOD:34 | 7 |
| N6-succinyllysine on K | — | 7 |
| Nitrosylation on Y | UNIMOD:354 | 6 |
| Phosphotyrosine on Y | UNIMOD:21 | 6 |
| N-acetylglycine on G | UNIMOD:1 | 5 |
| Sulfonation on Y | UNIMOD:40 | 5 |
| Dimethylated arginine on R | UNIMOD:36 | 4 |
| N-acetylvaline on V | UNIMOD:1 | 4 |
| Tele-methylhistidine on H | UNIMOD:34 | 4 |
| HexNAc on T | UNIMOD:43 | 3 |
| N-myristoyl glycine on G | UNIMOD:45 | 3 |
| Trimethylation on K | UNIMOD:37 | 3 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 2 |
| Citrulline on R | UNIMOD:7 | 1 |
| Crotonylation on K | UNIMOD:1363 | 1 |
| Cysteine persulfide on C | UNIMOD:421 | 1 |
| Diphthamide on H | UNIMOD:375 | 1 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 1 |
| HexNAc on S | UNIMOD:43 | 1 |
| Hydroxybutyrylation on K | — | 1 |
| N-acetylaspartate on D | UNIMOD:1 | 1 |
| N-acetylglutamate on E | UNIMOD:1 | 1 |
| N6-(2-hydroxyisobutyryl)lysine on K | UNIMOD:1849 | 1 |
| N6-malonyllysine on K | — | 1 |
| S-nitrosocysteine on C | UNIMOD:275 | 1 |
| S-palmitoyl cysteine on C | UNIMOD:47 | 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
39886c12675d36ea, written 2026-10-29T09:22:10+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