Names used in FastaLake#
A biological sample, a database entry and a reported protein group describe different things. These definitions follow the workflow from input to result.
| Term | Meaning | Where you see it |
|---|---|---|
| Specimen | Biological material linking proteomic and matched DNA/RNA measurements. One specimen can have several acquisitions. | Molecular source manifest |
| Acquisition | One mass-spectrometry measurement, supplied as one mzML file with its predictions. The manifest's sample column names acquisitions. |
samples.tsv |
| Protein reservoir | The prepared collection of complete protein sequences from which candidates are retrieved. Also called the reference lake in commands. | --lake |
| De novo query | An eligible predicted peptide retained for exact lookup. It is selection evidence, before database-search acceptance. | Prediction CSV |
| Study-supported sequence space | Reservoir proteins containing a retained query from the declared study. Also called the evidence lake in output files. | evidence.fasta |
| Acquisition-specific candidate set | Proteins retrieved from the study-supported space by one acquisition's retained queries. | sample_lake.fasta |
| Selection parsimony | Deterministic razor assignment of mapped predicted peptides to candidates; proteins receiving an assignment are retained in full. | Rust parsimony_engine |
| Selected acquisition-specific database | Complete proteins retained after selection parsimony. This is the de novo baseline. | <sample>_razor.fasta |
| Final target FASTA | Proteins supplied to the search, including any requested molecular additions. Sage generates decoys separately. | Search config.json |
| Accepted peptide | A target peptide passing the declared search-confidence threshold. Canonical sequence summaries remove modification notation and treat I/L as equivalent. | Peptide evidence tables |
| Study-level protein group | A reporting representative and the accepted peptides assigned to it across acquisitions. Shared evidence can leave biological origin ambiguous. | study_groups.tsv |
| Protein-group quantity | The sum or directLFQ estimate for a study group in an acquisition. An unquantified cell remains missing. | study_group_matrix.tsv |
Two kinds of sequence identity#
Peptide lookup treats isoleucine and leucine as equivalent. The prepared lake's protein hashes preserve the original I/L distinction: one matching peptide can occur in several distinct protein sequences. See identity rules.
Selection and reporting#
Before searching, selection parsimony uses predicted peptides to choose a compact FASTA. After searching, study grouping uses accepted evidence to build a common reporting dictionary. They use different evidence and tie rules.
The workflow shows both operations. The function map points to their implementations.
Where molecular additions enter#
Appending specimen-matched DNA/RNA-supported sequences after selection differs from pooling assembly proteins into the reservoir before lookup. Report where each source entered; “uses metagenomics” alone does not specify the method.