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AutoFlowResearch / SmartPeak

Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
MIT License
41 stars 13 forks source link

With latest version of OpenMS, pickMS2Features test fails #490

Closed bertrandboudaud closed 2 years ago

bertrandboudaud commented 2 years ago

Describe the bug unit test pickMS2Features fails. seems to be a consequence of an update from OpenMS.

logs pickMS2Features_failed.txt

Version information 1.18, all platforms

bertrandboudaud commented 2 years ago

Seems to be introduced with this commit:

https://github.com/OpenMS/OpenMS/commit/738747e5279dd2600c565f6e7bb71f6e827aa585

dmccloskey commented 2 years ago

I took a look at the commit and I don't see anything that would affect the OpenMS methods called in the pickMS2Features method.

bertrandboudaud commented 2 years ago

Sorry , It comes from this commit. https://github.com/OpenMS/OpenMS/pull/5734

dmccloskey commented 2 years ago

The changes proposed in the commit are quite beneficial and solve a long standing issue with the peak picker. I would imagine it would cause some changes in the number of overall picked features as measured by our unit tests.

Do any of the other tests fail besides the "RawDataProcessor.pickMS2Features" test? Do the examples also pass?

bertrandboudaud commented 2 years ago

It seems not so i will update the test with the new values.

dmccloskey commented 2 years ago

Sounds good to me.