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modification not defined in the optimal position of the peptide for a match #35

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lutzfischer opened this issue May 16, 2018 · 3 comments
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@lutzfischer
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Some times the modification a peptide is selected as the "correct" one for a match where the modification site id clearly wrong.
Example:
SearchID: 12828
PSMID: 7684197169
Scan: 27259

The sda modification should be on the lysine not the serine.

@lutzfischer lutzfischer self-assigned this May 16, 2018
@lutzfischer
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just some notes for me:
largest precursor in the sample is mapped by:
E130808_11_Quty1_AB_DE_220_V127_K_6_666ul Index: 20025 Precursor: 0 multi
the offending scan is
E130808_12_Quty1_AB_DE_220_V127_L_6_666ul Index: 27259

@lutzfischer
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problem here was that peptides had 4 possible modification sites for 2 distinct modifications and that gave a combinatoric of 80 possible modified peptides and only 20 are considered.
currently this can not be circumvented do to the issue #302

@lutzfischer
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One way to address this would be to test at the point of matching what modification would work best where. but this would make the matching a lopt more complecated. Especially do to the way modifications are represented in xi

@colin-combe colin-combe transferred this issue from another repository May 29, 2019
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