Joshua Charkow

Results 73 comments of Joshua Charkow

> > It is also a bit unfortunate that we have 3 different fitting steps in the pipeline despite being the computationally most expensive step 🥲 I disabled 2 of...

> Hi all, is it possible to use UIS Scores for metabolomics? If so, how can it be done? Additionally, would it be possible to make the formulas on this...

> @jcharkow @cbielow maybe sage merges by precursor I did not enable MS2 scan summing. Maybe this is needed? ![image](https://private-user-images.githubusercontent.com/5803621/318952955-ed68c0db-c224-43c7-913a-961339b4c31a.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.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.p5HhDSenDcC6cQ00pu4JNHnBE42x9xMgtok9TTolibg) and if this can be used. What are reasonable settings...

> @jcharkow I think basic support for writing ion mobility out is there. If you have capacities, it would be great if you could look into how IM can be...

@timosachsenberg it looks like adding an IM extraction window to the extractChromatograms() and return_chromatogram() method should allow IM to be taken into account. https://github.com/OpenMS/OpenMS/blob/c112411600c4a623d7a01f15c206ff827ba44401/src/openms/source/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderIdentificationAlgorithm.cpp#L562-L566 Adding IM as a parameter to...

For bruker I typically use 0.06 but I have tolerance due to possible calibration erros. If you have the IM value of the feature, you might be able to get...

Closed in favour of https://github.com/PyProphet/pyprophet/pull/126

This is completed in previous major refactoring

Yes I think we still want it in the GUI however it is not a major priority

I don't mind the config its just don't really like how some parameters are not relevant for certain plots. Maybe the plot config should be directly parameters of the respective...