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Catalogues

A catalogue set annotates fields of one kind of meaning, for every rule APB2 packages; data/catalogues.json states each set's purpose and users, and Catalog.description returns it. The JSON files under src/apb_catalog/data/sources/<set>/ are the source of truth; this page summarises them by hand.

identification_confidence

How likely each identification, or the signal quantified for it, is correct; used by apb-aggregate for confidence-weighted rollups and by apb-export's prolfqua target: per-run PEP and q-value layers, per-feature PEP, Sage's MS1-peak q-value (stage quantification), and DIA-NN's, Spectronaut's and MaxQuant's protein-group q-values. Scores, vendor summaries and other vendors' protein-level confidence are deliberately left out.

Concept confidence, kinds:

  • pep: Posterior error probability: the probability that this single identification is wrong; lower is better.
  • q_value: The smallest false discovery rate at which this identification, or quantified signal, is accepted; lower is better.
Software Rules Level Location APB field Kind
AlphaDIA alphadia/v1_12 ion layers QValue q_value
AlphaDIA alphadia/v2 ion layers QValue q_value
AlphaPept alphapept ion layers Q_Value q_value
DIA-NN diann/v1_7, diann/v1_8, diann/v2 ion layers Q_Value q_value
DIA-NN diann/v1_8, diann/v2 ion layers PEP pep
DIA-NN diann/v1_7, diann/v1_8, diann/v2 protein layers PG_Q_Value q_value
DIA-NN diann/v1_8, diann/v2 protein layers Lib_PG_Q_Value library_q_value
DIA-NN diann/v1_7, diann/v1_8, diann/v2 protein layers Global_PG_Q_Value global_q_value
FragPipe all — — none relevant —
i2MassChroQ all — — none relevant —
MaxQuant maxquant_wide ion layers PEP pep
MaxQuant maxquant_wide peptidoform var PEP pep
MaxQuant maxquant_wide peptide var PEP pep
MaxQuant maxquant_wide protein var Q_Value global_q_value
MSAngel all — — none relevant —
pb_custom all — — none relevant —
PEAKS all — — none relevant —
ProlineStudio all — — none relevant —
quantms all — — none relevant —
Sage sage ion var Q_Value q_value (quantification)
Sage sage peptidoform var Q_Value q_value (quantification)
Spectronaut spectronaut/v15, spectronaut, spectronaut/v21 ion layers EG_PEP pep
Spectronaut spectronaut/v15, spectronaut, spectronaut/v21 ion layers EG_Qvalue q_value
Spectronaut spectronaut, spectronaut/v21 protein layers PG_QValue_Run_Wise q_value
Spectronaut spectronaut, spectronaut/v21 protein var PG_Qvalue global_q_value
Spectronaut spectronaut/v21 protein layers PG_LibraryQvalue library_q_value
WOMBAT all — — none relevant —

proteobench_entrapment

The precursor q-values ProteoBench's entrapment scoring ranks by; used by apb-proteobench's EntrapmentAnalyzer and run entrapment. Each q-value is its own kind, so the scorer can score every one a result offers. Only the vendors ProteoBench's entrapment module accepts carry entries.

Concept confidence, kinds:

  • q_value: The smallest false discovery rate at which this identification, or quantified signal, is accepted; lower is better.
  • library_q_value: The q-value of the identification's spectral-library entry, built across all runs; lower is better.
  • global_q_value: The q-value of the identification across the whole experiment; lower is better.
Software Rules Level Location APB field Kind
AlphaDIA alphadia/v1_12 ion layers QValue q_value
AlphaDIA alphadia/v2 ion layers QValue q_value
DIA-NN diann/v1_7, diann/v1_8, diann/v2 ion layers Q_Value q_value
DIA-NN diann/v1_7, diann/v1_8, diann/v2 ion layers Lib_Q_Value library_q_value
DIA-NN diann/v1_7, diann/v1_8, diann/v2 ion layers Global_Q_Value global_q_value
Spectronaut spectronaut/v15, spectronaut, spectronaut/v21 ion layers EG_Qvalue q_value
Spectronaut spectronaut/v21 ion layers EG_LibraryQvalue library_q_value
Every other vendor all — — none relevant —

miape

Draft mapping onto the MIAPE-AnnData Schema 0.4.0 draft of the HUPO-PSI AI Readiness Working Group. MIAPE-AnnData defines protein-group, peptide, peptidoform and site modalities; APB ion levels have no modality, so ion-only results gain MIAPE fields only after aggregation. Fields an exporter computes, such as detection_rate or length, are not catalogued. MIAPE-AnnData stores no per-feature confidence; it records FDR filtering as a provenance step.

Concept miape, kinds and their requirement level:

  • protein_group: var, MUST: protein-group identifier as semicolon-separated UniProt accessions; on peptide and peptidoform levels the foreign key to the protein modality.
  • gene_name: var, SHOULD: gene symbol of the protein group.
  • organism: var, SHOULD: species of the protein group.
  • protein_description: var, MAY: free-text protein description, typically the UniProt protein name.
  • n_peptides_used: var, SHOULD: distinct peptide sequences aggregated into the protein group.
  • is_contaminant: var, SHOULD: whether the protein group comes from a contaminant database.
  • sequence: var, MUST: bare amino-acid sequence without modifications or charge.
  • peptidoform: var, MUST: ProForma 2.0 peptidoform, charge-collapsed.
  • is_unique: var, MUST: whether the peptide or peptidoform maps to exactly one protein group.
  • n_psms: var, MAY: peptide-spectrum matches aggregated into the row across all samples.
  • raw: layers, MUST: the unmodified engine-output quantification matrix.
Software Rules Level Location APB field Kind
AlphaDIA alphadia/v2 protein var Protein_Group protein_group
AlphaDIA alphadia/v2 protein layers PG_Intensity raw
AlphaPept all — — none relevant —
DIA-NN diann/v1_7, diann/v1_8, diann/v2 protein var Protein_Group protein_group
DIA-NN diann/v1_7, diann/v1_8, diann/v2 protein var Genes gene_name
DIA-NN diann/v1_7 protein layers PG_Normalised raw
DIA-NN diann/v1_8, diann/v2 protein layers PG_MaxLFQ raw
FragPipe all — — none relevant —
i2MassChroQ all — — none relevant —
MaxQuant maxquant_wide protein var Protein_IDs protein_group
MaxQuant maxquant_wide protein var Gene_Names gene_name
MaxQuant maxquant_wide protein var Protein_Names protein_description
MaxQuant maxquant_wide protein var Razor_Unique_Peptides n_peptides_used
MaxQuant maxquant_wide protein var Potential_Contaminant is_contaminant
MaxQuant maxquant_wide protein layers Intensity raw
MaxQuant maxquant_wide peptide var ProForma_peptide sequence
MaxQuant maxquant_wide peptide var Leading_Razor_Protein protein_group
MaxQuant maxquant_wide peptide var Unique_Groups is_unique
MaxQuant maxquant_wide peptide layers Intensity raw
MaxQuant maxquant_wide peptidoform var ProForma_peptide sequence
MaxQuant maxquant_wide peptidoform var Proteins protein_group
MaxQuant maxquant_wide peptidoform var Unique_Groups is_unique
MaxQuant maxquant_wide peptidoform layers Intensity raw
MSAngel all — — none relevant —
pb_custom all — — none relevant —
PEAKS all — — none relevant —
ProlineStudio all — — none relevant —
quantms all — — none relevant —
Sage sage peptidoform var ProForma_peptidoform peptidoform
Sage sage peptidoform var ProForma_peptide sequence
Sage sage peptidoform var Proteins protein_group
Sage sage peptidoform layers Intensity raw
Spectronaut spectronaut/v15, spectronaut, spectronaut/v21 protein var PG_ProteinGroups protein_group
Spectronaut spectronaut/v15 protein var PG_Genes gene_name
Spectronaut spectronaut/v15 protein var PG_Organisms organism
Spectronaut spectronaut/v15, spectronaut, spectronaut/v21 protein layers PG_Quantity raw
WOMBAT wombat peptidoform var ProForma_peptidoform peptidoform
WOMBAT wombat peptidoform var ProForma_peptide sequence
WOMBAT wombat peptidoform var protein_group protein_group
WOMBAT wombat peptidoform layers Abundance raw