Aging proteomics repository / PXD012307

An atlas of the aging lung mapped by single cell transcriptomics and deep tissue proteomics

PXD012307 · PRIDE record

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.

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.
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).
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).
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.
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.
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.
occupancy_decoy_groups info
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% FDR2,067,679
Peptidoforms at 1% FDR136,878
Protein groups at 1% FDR7,801
PTM sites95,871
Quantitative values1,436,227
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 nameUNIMODSites
Carbamidomethyl on CUNIMOD:414,457
Deamidation on QUNIMOD:713,237
Deamidation on NUNIMOD:711,416
Oxidation on MUNIMOD:3510,798
Citrullination on RUNIMOD:75,623
Carbamyl on XUNIMOD:54,496
Hydroxylation on PUNIMOD:353,369
Ammonia loss on NUNIMOD:3851,923
Hydroxylation on NUNIMOD:351,616
Fe[III] on EUNIMOD:18701,405
Magnesium on EUNIMOD:9561,293
Carbamyl on KUNIMOD:51,113
Hydroxylation on KUNIMOD:351,099
Fe[II] on EUNIMOD:9521,077
Sodium on EUNIMOD:301,074
Fe[III] on DUNIMOD:18701,067
Methylation on KUNIMOD:341,003
Magnesium on DUNIMOD:956937
Carbamyl on MUNIMOD:5877
Fe[II] on DUNIMOD:952840
Sodium on DUNIMOD:30803
Acetylation on KUNIMOD:1781
Phosphoserine on SUNIMOD:21749
Methylation on RUNIMOD:34647
Carboxylation on EUNIMOD:299616
Water Loss on EUNIMOD:27598
Carbamyl on RUNIMOD:5541
Carboxylation on DUNIMOD:299540
Calcium on EUNIMOD:951538
Dimethylation on KUNIMOD:36492
Trimethylation on KUNIMOD:37477
Phosphorylation on SUNIMOD:21447
Acetylation on XUNIMOD:1429
Formylation on KUNIMOD:122410
Ammonia loss on CUNIMOD:385402
N-acetylalanine on AUNIMOD:1384
Calcium on DUNIMOD:951382
Phosphorylation on TUNIMOD:21380
Dimethylation on RUNIMOD:36352
Potassium on EUNIMOD:530288
GG (Ubiquitination Site) on KUNIMOD:121277
Carboxylation on KUNIMOD:299273
N6-acetyllysine on KUNIMOD:1261
Butyrylation on KUNIMOD:1289239
Cu[I] on EUNIMOD:531238
Malonylation on KUNIMOD:747233
Glutarylation on KUNIMOD:1848227
Succinylation on KUNIMOD:64223
Nitrosylation on YUNIMOD:354219
Potassium on DUNIMOD:530218
Crotonylation on KUNIMOD:1363212
HexNAc on TUNIMOD:43201
HexNAc on SUNIMOD:43196
Hydroxybutyrylation on K—193
N-acetylmethionine on MUNIMOD:1168
Cu[I] on DUNIMOD:531158
N-acetylserine on SUNIMOD:1149
Phosphothreonine on TUNIMOD:21148
Pyridoxal phosphate on KUNIMOD:46142
Carbamyl on CUNIMOD:5132
4-hydroxyproline on PUNIMOD:35117
Sulfonation on YUNIMOD:4097
N6-succinyllysine on K—92
Phosphorylation on YUNIMOD:2184
Nitrosylation on CUNIMOD:27572
ADP-ribosylation on SUNIMOD:21367
N6-methyllysine on KUNIMOD:3458
Zinc on EUNIMOD:95453
N6-glutaryllysine on K—48
Zinc on DUNIMOD:95446
N6-(2-hydroxyisobutyryl)lysine on KUNIMOD:184945
Phosphotyrosine on YUNIMOD:2138
N6,N6-dimethyllysine on KUNIMOD:3637
Omega-N-methylarginine on RUNIMOD:3432
N-acetylthreonine on TUNIMOD:130
N6-methacryllysine on K—29
N6-crotonyllysine on K—27
N6-isonicotinyllysine on KUNIMOD:69727
Glu to PyroGlu on QUNIMOD:2824
N6,N6,N6-trimethyllysine on KUNIMOD:3724
Deamidated asparagine on NUNIMOD:722
HexNAc on NxtUNIMOD:4321
N-myristoyl glycine on GUNIMOD:4516
HexNAc on NxsUNIMOD:4315
N6-(beta-hydroxybutyryl)lysine on KUNIMOD:184915
Asymmetric dimethylarginine on RUNIMOD:3613
N6-butyryllysine on KUNIMOD:128913
Allysine on KUNIMOD:35212
Citrulline on RUNIMOD:711
5-hydroxylysine on KUNIMOD:358
N-acetylglycine on GUNIMOD:18
Pros-methylhistidine on HUNIMOD:348
S-nitrosocysteine on CUNIMOD:2758
N-acetylvaline on VUNIMOD:17
N5-methylglutamine on QUNIMOD:347
N6-malonyllysine on K—7
3'-nitrotyrosine on Y—6
Tele-methylhistidine on HUNIMOD:346
(3S)-3-hydroxyasparagine on N—5
3-hydroxyproline on PUNIMOD:354
Dimethylated arginine on RUNIMOD:364
N6-lipoyllysine on KUNIMOD:424
Cysteine persulfide on CUNIMOD:4213
N-acetylcysteine on CUNIMOD:13
N6-biotinyllysine on KUNIMOD:33
N6-propionyllysine on KUNIMOD:583
(3S)-3-hydroxylysine on K—2
5-glutamyl glycerylphosphorylethanolamine on EUNIMOD:3962
N,N,N-trimethylglycine on G—2
S-(2-succinyl)cysteine on CUNIMOD:9572
S-cysteinyl cysteine on CUNIMOD:3122
S-palmitoyl cysteine on CUNIMOD:472
3'-bromotyrosine on YUNIMOD:3401
3-oxoalanine (Cys) on CUNIMOD:4021
4-carboxyglutamate on EUNIMOD:2991
4-hydroxylysine on KUNIMOD:351
5-glutamyl serotonin on Q—1
Cysteine sulfinic acid (-SO2H) on CUNIMOD:4251
Leucine methyl ester on LUNIMOD:341
N-acetylaspartate on DUNIMOD:11
N-acetylglutamate on EUNIMOD:11
N-acetylproline on PUNIMOD:11
N6-1-carboxyethyl lysine on KUNIMOD:3781
N6-benzoyllysine on KUNIMOD:1361
S-farnesyl cysteine on CUNIMOD:441
Symmetric dimethylarginine on RUNIMOD:361

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