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rmillikin avatar rmillikin commented on August 14, 2024

Hello Kai,

It looks like your tsv file is OK. The error message is related to reading the spectrum files. Is it possible for you to upload and share your tsv and spectra files for me to debug? You can email me at [email protected] for a link to a place to share the files.

The results from 0.1.101 should be the same as version 0.1.100. There was just a large code restructuring to make future development of FlashLFQ easier. You can keep using 0.1.100 for now until this crash is fixed.

Rob

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rmillikin avatar rmillikin commented on August 14, 2024

The issue is indeed with the TSV file - there are identifications with the same peptide BaseSequence/ModSequence, but the identifications have different masses. Apparently this is because the search program does not include the modification in the "Modified Peptides" column. If the Modified Sequence and Base Sequence fields are the same for multiple identifications, but the IDs have different masses, incorrect quantification will occur (a crash or incorrect intensity value).

Example:
PEPTIDE (mass 1000.0)
PEPTIDE (mass 1042.0)

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trishorts avatar trishorts commented on August 14, 2024

Could conflicts like this be written in an error report.txt file rather than all out crash? Many peptides could be correctly quantified. Is it really necessary to trash the whole run?

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