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Add option to write fragment level quant #443

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@ammarcsj ammarcsj commented Jan 17, 2025

This PR adds the option to write to disk a matrix with fragment-level quantities which can be used for detailed inspection of the data or downstream quantification algorithms.

Changes:

  • Extended SearchPlanOutput.build_lfq_tables() to support fragment-level table export. When enabled, the feature exports the precursor-level group_intensity_df containing all fragments that pass the precursor level correlation filters
  • Added boolean config option in config_dict["search_output"]["fragment_quant_matrix"] (default: false)
  • Updated default config.yaml to include the new option

@ammarcsj ammarcsj marked this pull request as draft January 17, 2025 16:16
@ammarcsj ammarcsj requested review from GeorgWa and mschwoer January 21, 2025 15:14
@ammarcsj ammarcsj marked this pull request as ready for review January 21, 2025 15:14
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