Generated summary
PXD035171 is a DDA label-free dataset (Mus musculus) with 14 runs, 14 samples and enrichment: phospho. It was reanalysed with MetaMorpheus 1.1.12. At 1% FDR the search reports 223,143 PSMs, 23,287 peptidoforms and 1,887 protein groups, and the repository holds 16,884 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 2 for information
count_mismatch warning
The bundle holds 223143 where the producer reported 223180 (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 223143 where the producer reported 223180 (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
0.31% of 1% target peptides contain C (whole proteomes: 12-26%); check the alkylant (aging PXR-A37)
0.31% of 1% target peptides contain C (whole proteomes: 12-26%); check the alkylant (aging PXR-A37)
low_core_use warning
10.07 avg cores of 32 allowed (S5)
10.07 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 127784 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 4 duplicate entry for one site and run (identical values; same protein group); 1534 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 127784 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 4 duplicate entry for one site and run (identical values; same protein group); 1534 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: 2909 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: 2909 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: 1 identifier(s), 1 row(s) dropped, e.g. PXD035171:A0ACM8Q271;F6T6C3 written 2 times; quant_values: 21 identifier(s), 21 row(s) dropped, e.g. PXD035171:17855_LFQ_M01:label_free:protein_group:PXD035171:A0ACM8Q271;F6T6C3:QuantProject:DEF-PROT-INT written 2 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: 1 identifier(s), 1 row(s) dropped, e.g. PXD035171:A0ACM8Q271;F6T6C3 written 2 times; quant_values: 21 identifier(s), 21 row(s) dropped, e.g. PXD035171:17855_LFQ_M01:label_free:protein_group:PXD035171:A0ACM8Q271;F6T6C3:QuantProject:DEF-PROT-INT written 2 times. The full list is in bundle.json under collapsed_duplicates.
occupancy_decoy_groups info
113 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
113 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 | 223,143 |
| Peptidoforms at 1% FDR | 23,287 |
| Protein groups at 1% FDR | 1,887 |
| PTM sites | 16,884 |
| Quantitative values | 263,375 |
| PSMs, all (including decoys and sub-threshold) | 277,364 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 53.5% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 0.3% |
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
- phospho
- Instrument vendor
- not recorded
- Runs / samples
- 14 / 14
- Sample metadata
- absent
- Search engine
- MetaMorpheus 1.1.12
- Protein database
- UP000000589_all_genecentric_2026_03_agingPTM-v4.xml
- Pipeline commit
- 5aec9eb024d8
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Phosphorylation on S | UNIMOD:21 | 2,800 |
| Phosphoserine on S | UNIMOD:21 | 1,904 |
| Carbamyl on X | UNIMOD:5 | 1,563 |
| Phosphorylation on T | UNIMOD:21 | 1,255 |
| Sodium on E | UNIMOD:30 | 1,024 |
| Oxidation on M | UNIMOD:35 | 830 |
| Deamidation on N | UNIMOD:7 | 813 |
| Calcium on E | UNIMOD:951 | 698 |
| Sodium on D | UNIMOD:30 | 647 |
| Deamidation on Q | UNIMOD:7 | 544 |
| Calcium on D | UNIMOD:951 | 440 |
| Phosphorylation on Y | UNIMOD:21 | 387 |
| Hydroxylation on P | UNIMOD:35 | 312 |
| Fe[III] on E | UNIMOD:1870 | 282 |
| Phosphothreonine on T | UNIMOD:21 | 262 |
| Magnesium on E | UNIMOD:956 | 260 |
| Carbamidomethyl on C | UNIMOD:4 | 259 |
| Carbamyl on K | UNIMOD:5 | 230 |
| Fe[III] on D | UNIMOD:1870 | 207 |
| Ammonia loss on N | UNIMOD:385 | 154 |
| Magnesium on D | UNIMOD:956 | 154 |
| Hydroxylation on K | UNIMOD:35 | 98 |
| Citrullination on R | UNIMOD:7 | 88 |
| Hydroxylation on N | UNIMOD:35 | 82 |
| Water Loss on E | UNIMOD:27 | 66 |
| Phosphotyrosine on Y | UNIMOD:21 | 65 |
| Sulfonation on Y | UNIMOD:40 | 61 |
| Cu[I] on E | UNIMOD:531 | 59 |
| 4-hydroxyproline on P | UNIMOD:35 | 57 |
| N-acetylalanine on A | UNIMOD:1 | 54 |
| Acetylation on X | UNIMOD:1 | 53 |
| Potassium on E | UNIMOD:530 | 52 |
| Potassium on D | UNIMOD:530 | 51 |
| Fe[II] on E | UNIMOD:952 | 49 |
| Carbamyl on M | UNIMOD:5 | 47 |
| ADP-ribosylation on S | UNIMOD:213 | 44 |
| Carbamyl on R | UNIMOD:5 | 44 |
| Methylation on K | UNIMOD:34 | 43 |
| HexNAc on T | UNIMOD:43 | 40 |
| N-acetylserine on S | UNIMOD:1 | 37 |
| Acetylation on K | UNIMOD:1 | 28 |
| HexNAc on S | UNIMOD:43 | 28 |
| Pyridoxal phosphate on K | UNIMOD:46 | 28 |
| Cu[I] on D | UNIMOD:531 | 27 |
| Fe[II] on D | UNIMOD:952 | 27 |
| Dimethylation on K | UNIMOD:36 | 26 |
| Zinc on E | UNIMOD:954 | 26 |
| Trimethylation on K | UNIMOD:37 | 23 |
| N-acetylmethionine on M | UNIMOD:1 | 21 |
| Dimethylation on R | UNIMOD:36 | 17 |
| Malonylation on K | UNIMOD:747 | 17 |
| Zinc on D | UNIMOD:954 | 16 |
| N6-acetyllysine on K | UNIMOD:1 | 15 |
| Crotonylation on K | UNIMOD:1363 | 14 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 14 |
| Methylation on R | UNIMOD:34 | 13 |
| Omega-N-methylarginine on R | UNIMOD:34 | 10 |
| Butyrylation on K | UNIMOD:1289 | 9 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 9 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 9 |
| Carboxylation on K | UNIMOD:299 | 8 |
| Carboxylation on D | UNIMOD:299 | 7 |
| Carboxylation on E | UNIMOD:299 | 7 |
| Deamidated asparagine on N | UNIMOD:7 | 7 |
| Hydroxybutyrylation on K | — | 7 |
| Nitrosylation on Y | UNIMOD:354 | 7 |
| N-acetylthreonine on T | UNIMOD:1 | 6 |
| Glutarylation on K | UNIMOD:1848 | 5 |
| Formylation on K | UNIMOD:122 | 4 |
| N-acetylglycine on G | UNIMOD:1 | 4 |
| N6-methyllysine on K | UNIMOD:34 | 4 |
| Pros-methylhistidine on H | UNIMOD:34 | 4 |
| Succinylation on K | UNIMOD:64 | 4 |
| Tele-methylhistidine on H | UNIMOD:34 | 4 |
| 3-hydroxyproline on P | UNIMOD:35 | 2 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 2 |
| 5-hydroxylysine on K | UNIMOD:35 | 2 |
| Carbamyl on C | UNIMOD:5 | 2 |
| N-acetylvaline on V | UNIMOD:1 | 2 |
| N6-crotonyllysine on K | — | 2 |
| N6-succinyllysine on K | — | 2 |
| Ammonia loss on C | UNIMOD:385 | 1 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 1 |
| Cysteine persulfide on C | UNIMOD:421 | 1 |
| HexNAc on Nxs | UNIMOD:43 | 1 |
| S-nitrosocysteine on C | UNIMOD:275 | 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
bad44eb5f7e360eb, written 2026-10-29T09:23:09+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