bigbio / bigbio/relink

Switch spectral format from MGF to mzML

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Dominant language
Nextflow
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0
Forks
2
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Description

Update ThermoRawFileParser to output mzML, adapt xiSEARCH module, adapt mass recalibration script, remove FORMAT_CORRECTION step.

Contributor guide

Open the contributing guide

Research direction

Start by locating the ThermoRawFileParser output step, the xiSEARCH module, the mass recalibration script, and the FORMAT_CORRECTION step in the Nextflow workflow. Trace how MGF is produced and consumed, then update each named component for mzML and confirm that FORMAT_CORRECTION is no longer used. Done means the workflow runs with mzML through xiSEARCH and mass recalibration without the removed step.

Written by the indexing model from the issue text.

Assessment

Domain
bioinformatics
Issue type
Refactor
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
45/100

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