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Spectronaut PG Reader - #331

Merged
lucas-diedrich merged 35 commits into
pg-reader-5-maxquantfrom
pg-reader-6-spectronaut
Aug 26, 2025
Merged

Spectronaut PG Reader#331
lucas-diedrich merged 35 commits into
pg-reader-5-maxquantfrom
pg-reader-6-spectronaut

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Spectronaut protein group reader.

Implement spectronaut protein group reader based on pivot report (Spectronaut Manual, Page 80)

With custom post-processing method to get rid of "Filtered" values in report table.

@lucas-diedrich
lucas-diedrich requested review from Copilot and mschwoer and removed request for mschwoer August 11, 2025 18:45

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Pull Request Overview

This PR implements a Spectronaut protein group reader for processing pivot reports from the Spectronaut search engine. The implementation includes custom post-processing to handle "Filtered" values in the report by replacing them with NaN values.

Key changes:

  • Added SpectronautPGReader class with custom post-processing for "Filtered" values
  • Integrated the reader into the provider system and main module exports
  • Added comprehensive test coverage and configuration for Spectronaut data format

Reviewed Changes

Copilot reviewed 6 out of 6 changed files in this pull request and generated 2 comments.

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File Description
alphabase/pg_reader/spectronaut_reader.py Main implementation of SpectronautPGReader with post-processing logic
alphabase/pg_reader/init.py Export SpectronautPGReader in module public API
alphabase/constants/const_files/pg_reader.yaml Configuration mapping for Spectronaut column names and regex patterns
tests/integration/test_pg_readers.py Integration tests for the new reader functionality
tests/integration/test_pg_reader_provider.py Tests for provider registration
tests/integration/conftest.py Test fixture for downloading example Spectronaut data

Comment thread tests/integration/test_pg_readers.py Outdated
Comment thread alphabase/pg_reader/spectronaut_reader.py Outdated
@lucas-diedrich lucas-diedrich added the enhancement New feature or request label Aug 11, 2025
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Added parquet support.

@lucas-diedrich lucas-diedrich self-assigned this Aug 12, 2025

@mschwoer mschwoer left a comment

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LGTM, but have a look at my previoud comments regarding

  • examples in docstrings
  • regexp docu
  • test data downloading

Comment thread alphabase/constants/const_files/pg_reader.yaml
@lucas-diedrich
lucas-diedrich force-pushed the pg-reader-5-maxquant branch 2 times, most recently from 90884b3 to 3b79dce Compare August 23, 2025 09:55
@lucas-diedrich
lucas-diedrich force-pushed the pg-reader-6-spectronaut branch from 173d893 to 5e9c1c0 Compare August 23, 2025 10:32
@lucas-diedrich
lucas-diedrich merged commit e9485c1 into pg-reader-5-maxquant Aug 26, 2025
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@lucas-diedrich
lucas-diedrich deleted the pg-reader-6-spectronaut branch August 26, 2025 07:32
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3 participants