Generated summary
PXD031604 is a DDA label-free dataset (Mus musculus) with 15 runs, 15 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.13. At 1% FDR the search reports 1,406,442 PSMs, 104,634 peptidoforms and 6,865 protein groups, and the repository holds 55,041 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 1.40644e+06 where the producer reported 1.4072e+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 1.40644e+06 where the producer reported 1.4072e+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
15.64 avg cores of 32 allowed (S5)
15.64 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 463467 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 10205 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 463467 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 10205 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
2356 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 4206 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. `AADIS[UniProt:Phosphoserine on S]QWAGPLC[Common Fixed:Carbamidomethyl on C]LQ[Common Artifact:Deamidation on Q]EVDEPPQHALR|AADIS[UniProt:Phosphoserine on S]Q[Common Artifact:Deamidation on Q]WAGPLC[Common Fixed:Carbamidomethyl on C]LQEVDEPPQHALR`, `AADKD[Common Biological:Carboxylation on D]TC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AADK[Common Biological:Carboxylation on K]DTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AAD[Common Biological:Carboxylation on D]KDTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR`, `AAEAAASAYYNPGNPHN[Common Artifact:Deamidation on N]VYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYNPGN[Common Artifact:Deamidation on N]PHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYN[Common Artifact:Deamidation on N]PGNPHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK`.
2356 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 4206 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. `AADIS[UniProt:Phosphoserine on S]QWAGPLC[Common Fixed:Carbamidomethyl on C]LQ[Common Artifact:Deamidation on Q]EVDEPPQHALR|AADIS[UniProt:Phosphoserine on S]Q[Common Artifact:Deamidation on Q]WAGPLC[Common Fixed:Carbamidomethyl on C]LQEVDEPPQHALR`, `AADKD[Common Biological:Carboxylation on D]TC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AADK[Common Biological:Carboxylation on K]DTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AAD[Common Biological:Carboxylation on D]KDTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR`, `AAEAAASAYYNPGNPHN[Common Artifact:Deamidation on N]VYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYNPGN[Common Artifact:Deamidation on N]PHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYN[Common Artifact:Deamidation on N]PGNPHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK`.
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: 2386 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: 2386 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
88 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
88 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 | 1,406,442 |
| Peptidoforms at 1% FDR | 104,634 |
| Protein groups at 1% FDR | 6,865 |
| PTM sites | 55,041 |
| Quantitative values | 924,888 |
| PSMs, all (including decoys and sub-threshold) | 2,445,896 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 80.9% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 0.2% |
How it was measured
- Organism searched
- Mus musculus (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
- 15 / 15
- Sample metadata
- absent
- Search engine
- MetaMorpheus 1.1.13
- Protein database
- UP000000589_all_genecentric_2026_03_agingPTM-v6.xml
- Pipeline commit
- 314f6ae55a6e
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Carbamidomethyl on C | UNIMOD:4 | 17,079 |
| Oxidation on M | UNIMOD:35 | 14,347 |
| Deamidation on Q | UNIMOD:7 | 5,996 |
| Deamidation on N | UNIMOD:7 | 5,116 |
| Hydroxylation on P | UNIMOD:35 | 1,296 |
| Hydroxylation on N | UNIMOD:35 | 853 |
| Ammonia loss on N | UNIMOD:385 | 612 |
| Phosphoserine on S | UNIMOD:21 | 517 |
| Hydroxylation on K | UNIMOD:35 | 434 |
| Citrullination on R | UNIMOD:7 | 432 |
| Sodium on E | UNIMOD:30 | 427 |
| Methylation on K | UNIMOD:34 | 423 |
| Sodium on D | UNIMOD:30 | 418 |
| Ammonia loss on C | UNIMOD:385 | 417 |
| Magnesium on E | UNIMOD:956 | 370 |
| Magnesium on D | UNIMOD:956 | 342 |
| Acetylation on X | UNIMOD:1 | 328 |
| Carbamyl on X | UNIMOD:5 | 322 |
| N-acetylalanine on A | UNIMOD:1 | 299 |
| Water Loss on E | UNIMOD:27 | 260 |
| N6-acetyllysine on K | UNIMOD:1 | 251 |
| Calcium on D | UNIMOD:951 | 228 |
| Calcium on E | UNIMOD:951 | 223 |
| Phosphorylation on S | UNIMOD:21 | 205 |
| Fe[III] on E | UNIMOD:1870 | 188 |
| Methylation on R | UNIMOD:34 | 181 |
| Fe[III] on D | UNIMOD:1870 | 174 |
| Fe[II] on D | UNIMOD:952 | 166 |
| Acetylation on K | UNIMOD:1 | 155 |
| Potassium on D | UNIMOD:530 | 154 |
| Fe[II] on E | UNIMOD:952 | 148 |
| Phosphorylation on T | UNIMOD:21 | 145 |
| N-acetylmethionine on M | UNIMOD:1 | 136 |
| Potassium on E | UNIMOD:530 | 131 |
| Formylation on K | UNIMOD:122 | 122 |
| Dimethylation on K | UNIMOD:36 | 116 |
| N-acetylserine on S | UNIMOD:1 | 109 |
| Trimethylation on K | UNIMOD:37 | 103 |
| HexNAc on T | UNIMOD:43 | 97 |
| Phosphothreonine on T | UNIMOD:21 | 97 |
| HexNAc on S | UNIMOD:43 | 96 |
| Malonylation on K | UNIMOD:747 | 81 |
| Dimethylation on R | UNIMOD:36 | 79 |
| N6-succinyllysine on K | — | 78 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 68 |
| Crotonylation on K | UNIMOD:1363 | 59 |
| Glutarylation on K | UNIMOD:1848 | 56 |
| Hydroxybutyrylation on K | — | 56 |
| Carbamyl on M | UNIMOD:5 | 48 |
| Carbamyl on K | UNIMOD:5 | 45 |
| Omega-N-methylarginine on R | UNIMOD:34 | 45 |
| 4-hydroxyproline on P | UNIMOD:35 | 41 |
| Phosphorylation on Y | UNIMOD:21 | 40 |
| Carboxylation on E | UNIMOD:299 | 38 |
| Carboxylation on D | UNIMOD:299 | 37 |
| Succinylation on K | UNIMOD:64 | 34 |
| Butyrylation on K | UNIMOD:1289 | 33 |
| Deamidated asparagine on N | UNIMOD:7 | 28 |
| Nitrosylation on C | UNIMOD:275 | 28 |
| N-acetylthreonine on T | UNIMOD:1 | 26 |
| Carboxylation on K | UNIMOD:299 | 24 |
| Phosphotyrosine on Y | UNIMOD:21 | 22 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 21 |
| N6-methyllysine on K | UNIMOD:34 | 21 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 19 |
| Pyridoxal phosphate on K | UNIMOD:46 | 18 |
| N-myristoyl glycine on G | UNIMOD:45 | 17 |
| N6-(2-hydroxyisobutyryl)lysine on K | UNIMOD:1849 | 17 |
| Cu[I] on D | UNIMOD:531 | 16 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 16 |
| Nitrosylation on Y | UNIMOD:354 | 15 |
| Carbamyl on C | UNIMOD:5 | 11 |
| Carbamyl on R | UNIMOD:5 | 11 |
| N6-glutaryllysine on K | — | 11 |
| N6-isonicotinyllysine on K | UNIMOD:697 | 10 |
| Zinc on D | UNIMOD:954 | 9 |
| N6-methacryllysine on K | — | 7 |
| Sulfonation on Y | UNIMOD:40 | 7 |
| Dimethylated arginine on R | UNIMOD:36 | 6 |
| N-acetylvaline on V | UNIMOD:1 | 6 |
| N6-malonyllysine on K | — | 6 |
| Tele-methylhistidine on H | UNIMOD:34 | 6 |
| 5-hydroxylysine on K | UNIMOD:35 | 5 |
| Cu[I] on E | UNIMOD:531 | 5 |
| N-acetylglycine on G | UNIMOD:1 | 5 |
| N6-benzoyllysine on K | UNIMOD:136 | 5 |
| Citrulline on R | UNIMOD:7 | 4 |
| N-acetylcysteine on C | UNIMOD:1 | 4 |
| 3'-nitrotyrosine on Y | — | 3 |
| Allysine on K | UNIMOD:352 | 3 |
| Cysteine persulfide on C | UNIMOD:421 | 3 |
| HexNAc on Nxs | UNIMOD:43 | 3 |
| Zinc on E | UNIMOD:954 | 3 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 2 |
| Glu to PyroGlu on Q | UNIMOD:28 | 2 |
| Leucine methyl ester on L | UNIMOD:34 | 2 |
| N,N,N-trimethylglycine on G | — | 2 |
| N6-(beta-hydroxybutyryl)lysine on K | UNIMOD:1849 | 2 |
| N6-acetyl-N6-methyllysine on K | — | 2 |
| N6-biotinyllysine on K | UNIMOD:3 | 2 |
| N6-butyryllysine on K | UNIMOD:1289 | 2 |
| N6-lipoyllysine on K | UNIMOD:42 | 2 |
| Pros-methylhistidine on H | UNIMOD:34 | 2 |
| S-farnesyl cysteine on C | UNIMOD:44 | 2 |
| S-geranylgeranyl cysteine on C | UNIMOD:48 | 2 |
| S-nitrosocysteine on C | UNIMOD:275 | 2 |
| Tele-8alpha-FAD histidine on H | UNIMOD:50 | 2 |
| (3S)-3-hydroxyasparagine on N | — | 1 |
| (3S)-3-hydroxyhistidine on H | — | 1 |
| (3S)-3-hydroxylysine on K | — | 1 |
| 3-hydroxyproline on P | UNIMOD:35 | 1 |
| 4-hydroxylysine on K | UNIMOD:35 | 1 |
| 5-glutamyl serotonin on Q | — | 1 |
| Cysteine sulfinic acid (-SO2H) on C | UNIMOD:425 | 1 |
| Diphthamide on H | UNIMOD:375 | 1 |
| N-acetylaspartate on D | UNIMOD:1 | 1 |
| N-acetylglutamate on E | UNIMOD:1 | 1 |
| N-acetylproline on P | UNIMOD:1 | 1 |
| N5-methylglutamine on Q | UNIMOD:34 | 1 |
| N6-1-carboxyethyl lysine on K | UNIMOD:378 | 1 |
| N6-propionyllysine on K | UNIMOD:58 | 1 |
| S-palmitoyl cysteine on C | UNIMOD:47 | 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
7953d0d268b6080e, written 2026-10-30T13:28:00+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