Generated summary
PXD057545 is a DDA label-free dataset (Mus musculus) with 24 runs, 24 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.12. At 1% FDR the search reports 625,331 PSMs, 28,590 peptidoforms and 3,627 protein groups, and the repository holds 13,507 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 2 for information
count_mismatch warning
The bundle holds 625331 where the producer reported 625371 (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 625331 where the producer reported 625371 (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
12.94 avg cores of 32 allowed (S5)
12.94 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 57734 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 11889 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 57734 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 11889 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: 1921 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: 1921 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.
collapsed_duplicate_rows info
The producer wrote some rows more than once, identical in every column, and the copies were dropped so each identifier appears once. Nothing was lost: the kept row is byte-for-byte what the duplicates said. Rows that share an identifier and disagree anywhere are still refused rather than collapsed. protein_groups: 3 identifier(s), 4 row(s) dropped, e.g. PXD057545:A0A0A6YWG4;P18524;P18527 written 3 times; quant_values: 72 identifier(s), 96 row(s) dropped, e.g. PXD057545:20221014_Sarah_Rabia_EKO13_NL_4:label_free:protein_group:PXD057545:A0A0A6YWG4;P18524;P18527:QuantProject:DEF-PROT-SPC written 3 times. The full list is in bundle.json under collapsed_duplicates.
The producer wrote some rows more than once, identical in every column, and the copies were dropped so each identifier appears once. Nothing was lost: the kept row is byte-for-byte what the duplicates said. Rows that share an identifier and disagree anywhere are still refused rather than collapsed. protein_groups: 3 identifier(s), 4 row(s) dropped, e.g. PXD057545:A0A0A6YWG4;P18524;P18527 written 3 times; quant_values: 72 identifier(s), 96 row(s) dropped, e.g. PXD057545:20221014_Sarah_Rabia_EKO13_NL_4:label_free:protein_group:PXD057545:A0A0A6YWG4;P18524;P18527:QuantProject:DEF-PROT-SPC written 3 times. The full list is in bundle.json under collapsed_duplicates.
occupancy_decoy_groups info
155 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
155 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 | 625,331 |
| Peptidoforms at 1% FDR | 28,590 |
| Protein groups at 1% FDR | 3,627 |
| PTM sites | 13,507 |
| Quantitative values | 582,773 |
| PSMs, all (including decoys and sub-threshold) | 1,327,043 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 45.0% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 0.4% |
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
- 24 / 24
- Sample metadata
- absent
- Search engine
- MetaMorpheus 1.1.12
- Protein database
- UP000000589_all_genecentric_2026_03_agingPTM-v4.xml
- Pipeline commit
- 9df4ce025f23
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Oxidation on M | UNIMOD:35 | 3,777 |
| Carbamidomethyl on C | UNIMOD:4 | 3,130 |
| Deamidation on N | UNIMOD:7 | 1,059 |
| Deamidation on Q | UNIMOD:7 | 892 |
| Hydroxylation on P | UNIMOD:35 | 821 |
| Citrullination on R | UNIMOD:7 | 721 |
| Hydroxylation on K | UNIMOD:35 | 284 |
| Hydroxylation on N | UNIMOD:35 | 280 |
| N-acetylalanine on A | UNIMOD:1 | 241 |
| Acetylation on X | UNIMOD:1 | 228 |
| Ammonia loss on N | UNIMOD:385 | 142 |
| Carbamyl on X | UNIMOD:5 | 119 |
| Methylation on K | UNIMOD:34 | 118 |
| Phosphoserine on S | UNIMOD:21 | 117 |
| N-acetylmethionine on M | UNIMOD:1 | 96 |
| N-acetylserine on S | UNIMOD:1 | 93 |
| Phosphorylation on S | UNIMOD:21 | 68 |
| N6-acetyllysine on K | UNIMOD:1 | 64 |
| Acetylation on K | UNIMOD:1 | 55 |
| Methylation on R | UNIMOD:34 | 51 |
| Phosphorylation on T | UNIMOD:21 | 51 |
| HexNAc on S | UNIMOD:43 | 49 |
| HexNAc on T | UNIMOD:43 | 48 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 38 |
| Malonylation on K | UNIMOD:747 | 34 |
| Omega-N-methylarginine on R | UNIMOD:34 | 33 |
| Sodium on E | UNIMOD:30 | 33 |
| Dimethylation on K | UNIMOD:36 | 32 |
| 4-hydroxyproline on P | UNIMOD:35 | 31 |
| Fe[III] on E | UNIMOD:1870 | 30 |
| Ammonia loss on C | UNIMOD:385 | 29 |
| Dimethylation on R | UNIMOD:36 | 27 |
| Water Loss on E | UNIMOD:27 | 27 |
| Fe[II] on E | UNIMOD:952 | 26 |
| Sodium on D | UNIMOD:30 | 26 |
| Trimethylation on K | UNIMOD:37 | 25 |
| Magnesium on E | UNIMOD:956 | 24 |
| Phosphothreonine on T | UNIMOD:21 | 23 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 22 |
| N-acetylthreonine on T | UNIMOD:1 | 22 |
| N6-succinyllysine on K | — | 20 |
| Fe[II] on D | UNIMOD:952 | 19 |
| Fe[III] on D | UNIMOD:1870 | 18 |
| N-myristoyl glycine on G | UNIMOD:45 | 17 |
| N6-methyllysine on K | UNIMOD:34 | 17 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 16 |
| Carbamyl on K | UNIMOD:5 | 15 |
| Glutarylation on K | UNIMOD:1848 | 15 |
| Deamidated asparagine on N | UNIMOD:7 | 14 |
| Carbamyl on M | UNIMOD:5 | 13 |
| Magnesium on D | UNIMOD:956 | 13 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 13 |
| Butyrylation on K | UNIMOD:1289 | 10 |
| Citrulline on R | UNIMOD:7 | 9 |
| Formylation on K | UNIMOD:122 | 9 |
| Hydroxybutyrylation on K | — | 9 |
| Crotonylation on K | UNIMOD:1363 | 8 |
| N-acetylglycine on G | UNIMOD:1 | 8 |
| N6-glutaryllysine on K | — | 6 |
| Succinylation on K | UNIMOD:64 | 6 |
| Carboxylation on D | UNIMOD:299 | 5 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 4 |
| Carboxylation on E | UNIMOD:299 | 4 |
| N-acetylvaline on V | UNIMOD:1 | 4 |
| N6-crotonyllysine on K | — | 4 |
| Tele-methylhistidine on H | UNIMOD:34 | 4 |
| 5-hydroxylysine on K | UNIMOD:35 | 3 |
| Carbamyl on R | UNIMOD:5 | 3 |
| Carboxylation on K | UNIMOD:299 | 3 |
| Dimethylated arginine on R | UNIMOD:36 | 3 |
| N6-benzoyllysine on K | UNIMOD:136 | 3 |
| N6-malonyllysine on K | — | 3 |
| Phosphorylation on Y | UNIMOD:21 | 3 |
| Sulfonation on Y | UNIMOD:40 | 3 |
| (3S)-3-hydroxyhistidine on H | — | 2 |
| Pros-methylhistidine on H | UNIMOD:34 | 2 |
| S-farnesyl cysteine on C | UNIMOD:44 | 2 |
| (3S)-3-hydroxylysine on K | — | 1 |
| 3-hydroxyproline on P | UNIMOD:35 | 1 |
| 4-hydroxylysine on K | UNIMOD:35 | 1 |
| Deamidated glutamine on Q | UNIMOD:7 | 1 |
| HexNAc on Nxt | UNIMOD:43 | 1 |
| N-acetylaspartate on D | UNIMOD:1 | 1 |
| N-acetylcysteine on C | UNIMOD:1 | 1 |
| N-acetylglutamate on E | UNIMOD:1 | 1 |
| N-acetylproline on P | UNIMOD:1 | 1 |
| N6-biotinyllysine on K | UNIMOD:3 | 1 |
| N6-lipoyllysine on K | UNIMOD:42 | 1 |
| N6-methacryllysine on K | — | 1 |
| N6-propionyllysine on K | UNIMOD:58 | 1 |
| Nitrosylation on C | UNIMOD:275 | 1 |
| Phosphotyrosine on Y | UNIMOD:21 | 1 |
| S-nitrosocysteine on C | UNIMOD:275 | 1 |
| S-palmitoyl cysteine on C | UNIMOD:47 | 1 |
| Sulfocysteine on C | UNIMOD:40 | 1 |
| Symmetric dimethylarginine on R | UNIMOD:36 | 1 |
| Tele-8alpha-FAD histidine on H | UNIMOD:50 | 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
7187abc1ec5a09d4, written 2026-10-29T09:27:01+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