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smith-chem-wisc / FlashLFQ

Ultra-fast label-free quantification algorithm for mass-spectrometry proteomics
GNU Lesser General Public License v3.0
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Unkown psm file error #56

Closed Dmorgen closed 6 years ago

Dmorgen commented 6 years ago

Hi,

I'm trying to use the attached file - getting an error for unknown format. I've manipulated an excel file output from Byonic for it. What's wrong with it? can you provide me with an example file for future reference? SpikeIn_Quant_Ecoli.txt

Thanks! David.

rmillikin commented 6 years ago

All the columns look good except that you need to label "Protein Accession"; it of course does not really need to be an accession, you could just relabel the "Prot#" to "Protein Accession" (I'm assuming the number there is representative of the protein). After that it should work.

Dmorgen commented 6 years ago

got another issue for some reason i'm missing. thanks for the patience! SpikeIn_Quant_Ecoli.txt

rmillikin commented 6 years ago

The "Peptide Monoisotopic Mass" column has a space at the end of it, if you remove that space it will work. Sorry for the inconvenience... I'm working on a FlashLFQ GUI that should alleviate a lot of these problems but it won't be ready until after ASMS. It will support user-defined column headers though, it should be much more convenient...

Dmorgen commented 6 years ago

now worries, I'll gladly beta-test. thanks!