Generated summary
PXD006216 is a DDA label-free dataset (Mus musculus) with 30 runs, 30 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.12. At 1% FDR the search reports 272,722 PSMs, 37,317 peptidoforms and 3,979 protein groups, and the repository holds 18,744 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 272722 where the producer reported 272753 (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 272722 where the producer reported 272753 (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.
high_contamination warning
25.06% of protein intensity in the worst file, 4.32% median across 30 files (DEF-QC-9 v3.5)
25.06% of protein intensity in the worst file, 4.32% median across 30 files (DEF-QC-9 v3.5)
low_core_use warning
15.05 avg cores of 32 allowed (S5)
15.05 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 43266 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 5035 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 43266 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 5035 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: 417 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: 417 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: 2 identifier(s), 2 row(s) dropped, e.g. PXD006216:A0A0J9YU88;A0AAG1GHN1 written 2 times; quant_values: 60 identifier(s), 60 row(s) dropped, e.g. PXD006216:qe1_2013nov23_07_90t15_sorted1_pce_20:label_free:protein_group:PXD006216:A0A0J9YU88;A0AAG1GHN1:QuantProject:DEF-PROT-SPC 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: 2 identifier(s), 2 row(s) dropped, e.g. PXD006216:A0A0J9YU88;A0AAG1GHN1 written 2 times; quant_values: 60 identifier(s), 60 row(s) dropped, e.g. PXD006216:qe1_2013nov23_07_90t15_sorted1_pce_20:label_free:protein_group:PXD006216:A0A0J9YU88;A0AAG1GHN1:QuantProject:DEF-PROT-SPC written 2 times. The full list is in bundle.json under collapsed_duplicates.
occupancy_decoy_groups info
19 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
19 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 | 272,722 |
| Peptidoforms at 1% FDR | 37,317 |
| Protein groups at 1% FDR | 3,979 |
| PTM sites | 18,744 |
| Quantitative values | 443,693 |
| PSMs, all (including decoys and sub-threshold) | 687,065 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 42.7% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 3.2% |
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
- 30 / 30
- 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 |
|---|---|---|
| Carbamidomethyl on C | UNIMOD:4 | 5,270 |
| Oxidation on M | UNIMOD:35 | 2,245 |
| Fe[II] on E | UNIMOD:952 | 1,272 |
| Fe[II] on D | UNIMOD:952 | 1,056 |
| Formylation on K | UNIMOD:122 | 998 |
| Deamidation on N | UNIMOD:7 | 947 |
| Deamidation on Q | UNIMOD:7 | 848 |
| Fe[III] on E | UNIMOD:1870 | 776 |
| Fe[III] on D | UNIMOD:1870 | 574 |
| Ammonia loss on N | UNIMOD:385 | 458 |
| Carbamyl on M | UNIMOD:5 | 308 |
| Carbamyl on X | UNIMOD:5 | 283 |
| Hydroxylation on P | UNIMOD:35 | 276 |
| Ammonia loss on C | UNIMOD:385 | 231 |
| N-acetylalanine on A | UNIMOD:1 | 215 |
| Phosphoserine on S | UNIMOD:21 | 204 |
| Acetylation on K | UNIMOD:1 | 161 |
| Methylation on K | UNIMOD:34 | 140 |
| Acetylation on X | UNIMOD:1 | 121 |
| Water Loss on E | UNIMOD:27 | 113 |
| Citrullination on R | UNIMOD:7 | 112 |
| Trimethylation on K | UNIMOD:37 | 92 |
| N-acetylserine on S | UNIMOD:1 | 73 |
| Phosphorylation on S | UNIMOD:21 | 72 |
| Methylation on R | UNIMOD:34 | 60 |
| N6-acetyllysine on K | UNIMOD:1 | 56 |
| N-acetylmethionine on M | UNIMOD:1 | 51 |
| Carboxylation on D | UNIMOD:299 | 41 |
| Malonylation on K | UNIMOD:747 | 40 |
| Magnesium on E | UNIMOD:956 | 38 |
| Sodium on E | UNIMOD:30 | 38 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 37 |
| Dimethylation on K | UNIMOD:36 | 37 |
| Hydroxylation on N | UNIMOD:35 | 37 |
| Hydroxylation on K | UNIMOD:35 | 36 |
| Phosphorylation on T | UNIMOD:21 | 36 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 35 |
| Omega-N-methylarginine on R | UNIMOD:34 | 35 |
| Carbamyl on K | UNIMOD:5 | 31 |
| Glutarylation on K | UNIMOD:1848 | 31 |
| Carboxylation on E | UNIMOD:299 | 27 |
| Sodium on D | UNIMOD:30 | 23 |
| HexNAc on S | UNIMOD:43 | 22 |
| Magnesium on D | UNIMOD:956 | 20 |
| Butyrylation on K | UNIMOD:1289 | 19 |
| Dimethylation on R | UNIMOD:36 | 19 |
| Phosphothreonine on T | UNIMOD:21 | 18 |
| HexNAc on T | UNIMOD:43 | 17 |
| N-acetylthreonine on T | UNIMOD:1 | 17 |
| Calcium on D | UNIMOD:951 | 15 |
| Deamidated asparagine on N | UNIMOD:7 | 15 |
| 4-hydroxyproline on P | UNIMOD:35 | 14 |
| Carbamyl on R | UNIMOD:5 | 14 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 14 |
| Calcium on E | UNIMOD:951 | 13 |
| Nitrosylation on Y | UNIMOD:354 | 13 |
| Hydroxybutyrylation on K | — | 12 |
| Carboxylation on K | UNIMOD:299 | 9 |
| Crotonylation on K | UNIMOD:1363 | 9 |
| N6-methyllysine on K | UNIMOD:34 | 9 |
| Pyridoxal phosphate on K | UNIMOD:46 | 9 |
| Carbamyl on C | UNIMOD:5 | 8 |
| N-myristoyl glycine on G | UNIMOD:45 | 8 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 8 |
| Phosphorylation on Y | UNIMOD:21 | 6 |
| N-acetylglycine on G | UNIMOD:1 | 5 |
| Succinylation on K | UNIMOD:64 | 5 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 4 |
| N6-succinyllysine on K | — | 4 |
| Sulfonation on Y | UNIMOD:40 | 4 |
| Dimethylated arginine on R | UNIMOD:36 | 3 |
| N-acetylvaline on V | UNIMOD:1 | 3 |
| N6-butyryllysine on K | UNIMOD:1289 | 3 |
| Nitrosylation on C | UNIMOD:275 | 3 |
| Citrulline on R | UNIMOD:7 | 2 |
| N,N,N-trimethylglycine on G | — | 2 |
| N-acetylcysteine on C | UNIMOD:1 | 2 |
| N6-crotonyllysine on K | — | 2 |
| N6-isonicotinyllysine on K | UNIMOD:697 | 2 |
| Potassium on D | UNIMOD:530 | 2 |
| Potassium on E | UNIMOD:530 | 2 |
| Pros-methylhistidine on H | UNIMOD:34 | 2 |
| Tele-methylhistidine on H | UNIMOD:34 | 2 |
| (3S)-3-hydroxyhistidine on H | — | 1 |
| 3-hydroxyproline on P | UNIMOD:35 | 1 |
| Cysteine persulfide on C | UNIMOD:421 | 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-(2-hydroxyisobutyryl)lysine on K | UNIMOD:1849 | 1 |
| O-AMP-threonine on T | UNIMOD:405 | 1 |
| Phosphohistidine on H | UNIMOD:21 | 1 |
| Phosphotyrosine on Y | UNIMOD:21 | 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
43e8c4617a72591e, written 2026-10-29T11:13:22+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