[x] This comment contains a description of changes (with reason)
[x] Referenced issue is linked
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[ ] Documentation in docs is updated
Description of changes
Fixes an issue when the lda procedure fails, which leads to missing RT information in the features for percolator.
Makes the RT alignment procedure more stable in scenarios where only poor fits can be achieved.
Technical details
MAE stopping criterion in iterative spline fitting reduced from 0.05 to 0.02
discard percentage factor in in iterative spline fitting reduced from 1.5 to 1.2
increase FDR cutoff from LDA model until at least 500 points found
apply small epsilon to q knots of spline intervals to avoid 0 length intervals
PR Checklist
docsis updatedDescription of changes
Fixes an issue when the lda procedure fails, which leads to missing RT information in the features for percolator. Makes the RT alignment procedure more stable in scenarios where only poor fits can be achieved.
Technical details
Additional context