Generated summary
PXD012307 is a DDA label-free dataset (Mus musculus) with 32 runs, 1 sample and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.12. At 1% FDR the search reports 2,067,679 PSMs, 136,878 peptidoforms and 7,801 protein groups, and the repository holds 95,871 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 2.06768e+06 where the producer reported 2.06899e+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 2.06768e+06 where the producer reported 2.06899e+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.
occupancy_not_stored warning
Of 393128 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 42 duplicate entry for one site and run (identical values; same protein group); 16410 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 393128 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 42 duplicate entry for one site and run (identical values; same protein group); 16410 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).
sdrf_conflicting_rows warning
The SDRF's rows for one source name disagree on 1 sample-level cell(s), in 1 sample(s), so those samples have no value there: no sample_characteristics row, and a samples column read from the cell is NULL (organism falls back to the manifest's). No row's value was taken over another's. Disagreeing rows usually mean the SDRF gave several samples one source name, so sample-level questions on these columns cannot be answered until it is curated. characteristics[age] of `Sample 1` is `24M` (16 row(s): 20131023_EXQ8_HeSc_SA_ECM_old_14_1, 20131023_EXQ8_HeSc_SA_ECM_old_14_2, 20131023_EXQ8_HeSc_SA_ECM_old_14_3, 20131023_EXQ8_HeSc_SA_ECM_old_14_4, 20131023_EXQ8_HeSc_SA_FR1_old_14_1, 20131023_EXQ8_HeSc_SA_FR1_old_14_2, 20131023_EXQ8_HeSc_SA_FR1_old_14_3, 20131023_EXQ8_HeSc_SA_FR1_old_14_4, 20131023_EXQ8_HeSc_SA_FR2_old_14_1, 20131023_EXQ8_HeSc_SA_FR2_old_14_2 and 6 more) or `3M` (16 row(s): 20131023_EXQ8_HeSc_SA_ECM_young_11_1, 20131023_EXQ8_HeSc_SA_ECM_young_11_2, 20131023_EXQ8_HeSc_SA_ECM_young_11_3, 20131023_EXQ8_HeSc_SA_ECM_young_11_4, 20131023_EXQ8_HeSc_SA_FR1_young_11_1, 20131023_EXQ8_HeSc_SA_FR1_young_11_2, 20131023_EXQ8_HeSc_SA_FR1_young_11_3, 20131023_EXQ8_HeSc_SA_FR1_young_11_4, 20131023_EXQ8_HeSc_SA_FR2_young_11_1, 20131023_EXQ8_HeSc_SA_FR2_young_11_2 and 6 more).
The SDRF's rows for one source name disagree on 1 sample-level cell(s), in 1 sample(s), so those samples have no value there: no sample_characteristics row, and a samples column read from the cell is NULL (organism falls back to the manifest's). No row's value was taken over another's. Disagreeing rows usually mean the SDRF gave several samples one source name, so sample-level questions on these columns cannot be answered until it is curated. characteristics[age] of `Sample 1` is `24M` (16 row(s): 20131023_EXQ8_HeSc_SA_ECM_old_14_1, 20131023_EXQ8_HeSc_SA_ECM_old_14_2, 20131023_EXQ8_HeSc_SA_ECM_old_14_3, 20131023_EXQ8_HeSc_SA_ECM_old_14_4, 20131023_EXQ8_HeSc_SA_FR1_old_14_1, 20131023_EXQ8_HeSc_SA_FR1_old_14_2, 20131023_EXQ8_HeSc_SA_FR1_old_14_3, 20131023_EXQ8_HeSc_SA_FR1_old_14_4, 20131023_EXQ8_HeSc_SA_FR2_old_14_1, 20131023_EXQ8_HeSc_SA_FR2_old_14_2 and 6 more) or `3M` (16 row(s): 20131023_EXQ8_HeSc_SA_ECM_young_11_1, 20131023_EXQ8_HeSc_SA_ECM_young_11_2, 20131023_EXQ8_HeSc_SA_ECM_young_11_3, 20131023_EXQ8_HeSc_SA_ECM_young_11_4, 20131023_EXQ8_HeSc_SA_FR1_young_11_1, 20131023_EXQ8_HeSc_SA_FR1_young_11_2, 20131023_EXQ8_HeSc_SA_FR1_young_11_3, 20131023_EXQ8_HeSc_SA_FR1_young_11_4, 20131023_EXQ8_HeSc_SA_FR2_young_11_1, 20131023_EXQ8_HeSc_SA_FR2_young_11_2 and 6 more).
sdrf_uncoded warning
The deposited SDRF describes its samples only as text with no ontology term, so the curated organism part, cell type, disease and individual columns are empty. The text is in sample_characteristics: organism part: Lungs. Match on it as text; it has not been mapped to a term.
The deposited SDRF describes its samples only as text with no ontology term, so the curated organism part, cell type, disease and individual columns are empty. The text is in sample_characteristics: organism part: Lungs. Match on it as text; it has not been mapped to a term.
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: 13510 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: 13510 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: 8 identifier(s), 26 row(s) dropped, e.g. PXD012307:A0A087WSN2;A0A0R4J2B9;A0A571BD55;A0A571BG45;A0A571BG86;A2BFZ7;A2BHG6;A2CG71;A2CG92;A2CGC2;J3QMS5;J3QMW9;J3QNQ5;J3QP26;L7MU81;L7MU83;Q99N64 written 15 times; quant_values: 256 identifier(s), 832 row(s) dropped, e.g. PXD012307:20131023_EXQ8_HeSc_SA_ECM_old_14_1:label_free:protein_group:PXD012307:A0A087WSN2;A0A0R4J2B9;A0A571BD55;A0A571BG45;A0A571BG86;A2BFZ7;A2BHG6;A2CG71;A2CG92;A2CGC2;J3QMS5;J3QMW9;J3QNQ5;J3QP26;L7MU81;L7MU83;Q99N64:QuantProject:DEF-PROT-SPC written 15 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: 8 identifier(s), 26 row(s) dropped, e.g. PXD012307:A0A087WSN2;A0A0R4J2B9;A0A571BD55;A0A571BG45;A0A571BG86;A2BFZ7;A2BHG6;A2CG71;A2CG92;A2CGC2;J3QMS5;J3QMW9;J3QNQ5;J3QP26;L7MU81;L7MU83;Q99N64 written 15 times; quant_values: 256 identifier(s), 832 row(s) dropped, e.g. PXD012307:20131023_EXQ8_HeSc_SA_ECM_old_14_1:label_free:protein_group:PXD012307:A0A087WSN2;A0A0R4J2B9;A0A571BD55;A0A571BG45;A0A571BG86;A2BFZ7;A2BHG6;A2CG71;A2CG92;A2CGC2;J3QMS5;J3QMW9;J3QNQ5;J3QP26;L7MU81;L7MU83;Q99N64:QuantProject:DEF-PROT-SPC written 15 times. The full list is in bundle.json under collapsed_duplicates.
occupancy_decoy_groups info
293 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.
293 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 | 2,067,679 |
| Peptidoforms at 1% FDR | 136,878 |
| Protein groups at 1% FDR | 7,801 |
| PTM sites | 95,871 |
| Quantitative values | 1,436,227 |
| PSMs, all (including decoys and sub-threshold) | 5,335,478 |
| MS2 identification rate (pxreprise:DEF-ID-RATE) | 73.4% |
| Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM) | 0.9% |
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
- Thermo
- Runs / samples
- 32 / 1
- Sample metadata
- trusted
- Search engine
- MetaMorpheus 1.1.12
- Protein database
- UP000000589_all_genecentric_2026_03_agingPTM-v3.xml
- Pipeline commit
- 0ba5e4c3fd33
Modifications
| Search engine's name | UNIMOD | Sites |
|---|---|---|
| Carbamidomethyl on C | UNIMOD:4 | 14,457 |
| Deamidation on Q | UNIMOD:7 | 13,237 |
| Deamidation on N | UNIMOD:7 | 11,416 |
| Oxidation on M | UNIMOD:35 | 10,798 |
| Citrullination on R | UNIMOD:7 | 5,623 |
| Carbamyl on X | UNIMOD:5 | 4,496 |
| Hydroxylation on P | UNIMOD:35 | 3,369 |
| Ammonia loss on N | UNIMOD:385 | 1,923 |
| Hydroxylation on N | UNIMOD:35 | 1,616 |
| Fe[III] on E | UNIMOD:1870 | 1,405 |
| Magnesium on E | UNIMOD:956 | 1,293 |
| Carbamyl on K | UNIMOD:5 | 1,113 |
| Hydroxylation on K | UNIMOD:35 | 1,099 |
| Fe[II] on E | UNIMOD:952 | 1,077 |
| Sodium on E | UNIMOD:30 | 1,074 |
| Fe[III] on D | UNIMOD:1870 | 1,067 |
| Methylation on K | UNIMOD:34 | 1,003 |
| Magnesium on D | UNIMOD:956 | 937 |
| Carbamyl on M | UNIMOD:5 | 877 |
| Fe[II] on D | UNIMOD:952 | 840 |
| Sodium on D | UNIMOD:30 | 803 |
| Acetylation on K | UNIMOD:1 | 781 |
| Phosphoserine on S | UNIMOD:21 | 749 |
| Methylation on R | UNIMOD:34 | 647 |
| Carboxylation on E | UNIMOD:299 | 616 |
| Water Loss on E | UNIMOD:27 | 598 |
| Carbamyl on R | UNIMOD:5 | 541 |
| Carboxylation on D | UNIMOD:299 | 540 |
| Calcium on E | UNIMOD:951 | 538 |
| Dimethylation on K | UNIMOD:36 | 492 |
| Trimethylation on K | UNIMOD:37 | 477 |
| Phosphorylation on S | UNIMOD:21 | 447 |
| Acetylation on X | UNIMOD:1 | 429 |
| Formylation on K | UNIMOD:122 | 410 |
| Ammonia loss on C | UNIMOD:385 | 402 |
| N-acetylalanine on A | UNIMOD:1 | 384 |
| Calcium on D | UNIMOD:951 | 382 |
| Phosphorylation on T | UNIMOD:21 | 380 |
| Dimethylation on R | UNIMOD:36 | 352 |
| Potassium on E | UNIMOD:530 | 288 |
| GG (Ubiquitination Site) on K | UNIMOD:121 | 277 |
| Carboxylation on K | UNIMOD:299 | 273 |
| N6-acetyllysine on K | UNIMOD:1 | 261 |
| Butyrylation on K | UNIMOD:1289 | 239 |
| Cu[I] on E | UNIMOD:531 | 238 |
| Malonylation on K | UNIMOD:747 | 233 |
| Glutarylation on K | UNIMOD:1848 | 227 |
| Succinylation on K | UNIMOD:64 | 223 |
| Nitrosylation on Y | UNIMOD:354 | 219 |
| Potassium on D | UNIMOD:530 | 218 |
| Crotonylation on K | UNIMOD:1363 | 212 |
| HexNAc on T | UNIMOD:43 | 201 |
| HexNAc on S | UNIMOD:43 | 196 |
| Hydroxybutyrylation on K | — | 193 |
| N-acetylmethionine on M | UNIMOD:1 | 168 |
| Cu[I] on D | UNIMOD:531 | 158 |
| N-acetylserine on S | UNIMOD:1 | 149 |
| Phosphothreonine on T | UNIMOD:21 | 148 |
| Pyridoxal phosphate on K | UNIMOD:46 | 142 |
| Carbamyl on C | UNIMOD:5 | 132 |
| 4-hydroxyproline on P | UNIMOD:35 | 117 |
| Sulfonation on Y | UNIMOD:40 | 97 |
| N6-succinyllysine on K | — | 92 |
| Phosphorylation on Y | UNIMOD:21 | 84 |
| Nitrosylation on C | UNIMOD:275 | 72 |
| ADP-ribosylation on S | UNIMOD:213 | 67 |
| N6-methyllysine on K | UNIMOD:34 | 58 |
| Zinc on E | UNIMOD:954 | 53 |
| N6-glutaryllysine on K | — | 48 |
| Zinc on D | UNIMOD:954 | 46 |
| N6-(2-hydroxyisobutyryl)lysine on K | UNIMOD:1849 | 45 |
| Phosphotyrosine on Y | UNIMOD:21 | 38 |
| N6,N6-dimethyllysine on K | UNIMOD:36 | 37 |
| Omega-N-methylarginine on R | UNIMOD:34 | 32 |
| N-acetylthreonine on T | UNIMOD:1 | 30 |
| N6-methacryllysine on K | — | 29 |
| N6-crotonyllysine on K | — | 27 |
| N6-isonicotinyllysine on K | UNIMOD:697 | 27 |
| Glu to PyroGlu on Q | UNIMOD:28 | 24 |
| N6,N6,N6-trimethyllysine on K | UNIMOD:37 | 24 |
| Deamidated asparagine on N | UNIMOD:7 | 22 |
| HexNAc on Nxt | UNIMOD:43 | 21 |
| N-myristoyl glycine on G | UNIMOD:45 | 16 |
| HexNAc on Nxs | UNIMOD:43 | 15 |
| N6-(beta-hydroxybutyryl)lysine on K | UNIMOD:1849 | 15 |
| Asymmetric dimethylarginine on R | UNIMOD:36 | 13 |
| N6-butyryllysine on K | UNIMOD:1289 | 13 |
| Allysine on K | UNIMOD:352 | 12 |
| Citrulline on R | UNIMOD:7 | 11 |
| 5-hydroxylysine on K | UNIMOD:35 | 8 |
| N-acetylglycine on G | UNIMOD:1 | 8 |
| Pros-methylhistidine on H | UNIMOD:34 | 8 |
| S-nitrosocysteine on C | UNIMOD:275 | 8 |
| N-acetylvaline on V | UNIMOD:1 | 7 |
| N5-methylglutamine on Q | UNIMOD:34 | 7 |
| N6-malonyllysine on K | — | 7 |
| 3'-nitrotyrosine on Y | — | 6 |
| Tele-methylhistidine on H | UNIMOD:34 | 6 |
| (3S)-3-hydroxyasparagine on N | — | 5 |
| 3-hydroxyproline on P | UNIMOD:35 | 4 |
| Dimethylated arginine on R | UNIMOD:36 | 4 |
| N6-lipoyllysine on K | UNIMOD:42 | 4 |
| Cysteine persulfide on C | UNIMOD:421 | 3 |
| N-acetylcysteine on C | UNIMOD:1 | 3 |
| N6-biotinyllysine on K | UNIMOD:3 | 3 |
| N6-propionyllysine on K | UNIMOD:58 | 3 |
| (3S)-3-hydroxylysine on K | — | 2 |
| 5-glutamyl glycerylphosphorylethanolamine on E | UNIMOD:396 | 2 |
| N,N,N-trimethylglycine on G | — | 2 |
| S-(2-succinyl)cysteine on C | UNIMOD:957 | 2 |
| S-cysteinyl cysteine on C | UNIMOD:312 | 2 |
| S-palmitoyl cysteine on C | UNIMOD:47 | 2 |
| 3'-bromotyrosine on Y | UNIMOD:340 | 1 |
| 3-oxoalanine (Cys) on C | UNIMOD:402 | 1 |
| 4-carboxyglutamate on E | UNIMOD:299 | 1 |
| 4-hydroxylysine on K | UNIMOD:35 | 1 |
| 5-glutamyl serotonin on Q | — | 1 |
| Cysteine sulfinic acid (-SO2H) on C | UNIMOD:425 | 1 |
| Leucine methyl ester on L | UNIMOD:34 | 1 |
| N-acetylaspartate on D | UNIMOD:1 | 1 |
| N-acetylglutamate on E | UNIMOD:1 | 1 |
| N-acetylproline on P | UNIMOD:1 | 1 |
| N6-1-carboxyethyl lysine on K | UNIMOD:378 | 1 |
| N6-benzoyllysine on K | UNIMOD:136 | 1 |
| S-farnesyl cysteine on C | UNIMOD:44 | 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
63a2859fd47fa0e9, written 2026-10-29T10:59:31+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