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Add additional search engine, some fixes #103

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merged 6 commits into from
Sep 26, 2023

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lazear
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@lazear lazear commented Sep 25, 2023

Hi all,

I stumbled across this - super cool project. I added support for the Sage search engine, since I happened to already have PXD028735 downloaded.

I've also added some misc. fixes - happy to cherrypick out any you don't want. Also, if you're not ready to add in additional tools, I can hold off on the PR.

  • I think the expected ratios are off for all of the tools
  • I fixed the filenames to use the DDA files, not the DIA (AIF) files
  • Changed deprecated plotly function to new plotly express histogram (also, old one was not properly displaying densities)
  • Added tests for Sage input

Everything seems to work on all of the existing test datasets. I did notice that for some reason, the overall metrics are not being calculated correctly for Sage and displayed on the final scatterplot that compares tools (there are NaN values maybe?) despite the "Download calculated ratios" file looking OK.

"Custom")

LOCAL_DEVELOPMENT = False
LOCAL_DEVELOPMENT = True
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@scaramonche I guess you will have to decide about this change:)

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@RobbinBouwmeester RobbinBouwmeester left a comment

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Indeed good catch with the wrong ratios!

Change back flag on local development
@RobbinBouwmeester RobbinBouwmeester merged commit 5ce715e into Proteobench:main Sep 26, 2023
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3 participants