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Retrieve mass-spec-utils Code #274

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mcbrider5002 opened this issue Feb 25, 2024 · 0 comments
Open

Retrieve mass-spec-utils Code #274

mcbrider5002 opened this issue Feb 25, 2024 · 0 comments

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@mcbrider5002
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mcbrider5002 commented Feb 25, 2024

Previously, some of the ViMMS internals were moved to mass-spec-utils so they could be used as a separate, lighter-weight library. Unfortunately, that repository is no longer maintained. Additionally, there is a fragmentation of relevant utilities between this repo and mass-spec-utils. For example, mass-spec-utils provides MZMLFile, a wrapper around pymzml which allows .mzMLs to be read in. But ViMMS provides an MZMLWriter which instead uses psims to write .mzML files. ViMMS is therefore using two different utilities to read and write .mzML files.

We should try to either:

  1. Return the mass-spec-utils code to ViMMS and make it internally consistent within ViMMS.
  2. Fork the mass-spec-utils code and then either merge it with the existing repository or publish it as a new package. Existing code should be moved from ViMMS and the new package made internally consistent.
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