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fix(diann-converter): Allow for quantification column to be determined by client #92

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merged 1 commit into from
Apr 17, 2024

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tonywu1999
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@tonywu1999 tonywu1999 commented Apr 12, 2024

Motivation and Context

We got the following notice from a DIANN user that the newer version of DIANN does not provide the Fragment.Quant.Corrected column. We need to provide users the option to use the Fragment.Quant.Raw column for intensity in case Fragment.Quant.Corrected doesn't exist.

Changes

  • Add a new parameter quantificationColumn in the DIANNtoMSstatsFormat function that determines the column name to use for intensity measurements. It defaults to FragmentQuantCorrected.
  • Refactor code to handle this new parameter

Testing

  • Added unit tests for clean DIANN function and verify that both default parameters and setting quantificationColumn to Fragment.Quant.Raw works as expected

Checklist Before Requesting a Review

  • I have read the MSstats contributing guidelines
  • My changes generate no new warnings
  • Any dependent changes have been merged and published in downstream modules

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@devonjkohler devonjkohler left a comment

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This is a much needed change for DIANN and will cut off issues with the quantification column name changing in future releases.

The code looks good to go and can be merged imo.

@tonywu1999 tonywu1999 merged commit 4752b75 into devel Apr 17, 2024
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@tonywu1999 tonywu1999 deleted the fix-diann-converter branch April 17, 2024 14:46
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2 participants