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timosachsenberg avatar timosachsenberg commented on June 2, 2024

This usually indicates that the native ids in the annotated mzML file doesn't match to the native ids in the identification files.
The quantification looks sane to me @jpfeuffer? any idea:
https://github.com/nf-core/mhcquant/blob/master/subworkflows/local/post_quantification.nf
and it is run on the aligned files:
https://github.com/nf-core/mhcquant/blob/master/workflows/mhcquant.nf#L241-L250

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jpfeuffer avatar jpfeuffer commented on June 2, 2024

The problem is that this PeptideIdentification has an id_merge_index of 4 and a map_index of 0 this means that you are linking or otherwise merging quant. files (featureXMLs) that were annotated with IDs from multiple files.
In the new version we require a unique path back to the fragment spectrum in the mzml file.
This does not seem to be possible with how the workflow is constructed/parameterized. I won't have the time to look into the workflow before the weekend though I think.

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jpfeuffer avatar jpfeuffer commented on June 2, 2024

It might also be that one of the tools used was not updated yet to pass through information from merged ID files.

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marissaDubbelaar avatar marissaDubbelaar commented on June 2, 2024

I think that I found the problem, apparently, upstream not all of the individual files were given somehow which resulted in a conflict later on (trying to refer to an ID that was not available).

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