systemsomicslab / MsdialWorkbench

Universal workbench incorporating msdial, msfinder, and mrmprobs
https://systemsomicslab.github.io/compms/msdial/main.html
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timsTOF data causes MS-DIAL version 5 to crash but not MS-DIAL version 4 #316

Open triston-groff opened 5 months ago

triston-groff commented 5 months ago

I am creating an issue that was raised on metabolomics-forum.com by user mecolley which I have also experienced myself. Here is a link to the thread: http://www.metabolomics-forum.com/index.php?PHPSESSID=9c325709b3054940eb20c4ac46ee6f8d&topic=1992.0

The issue is that TIMS data causes MS-DIAL version 5 to crash. The OP on the thread I linked mentioned this occurs with .ibf files, but I have experienced this with the raw .d files as well. I can't recall which version exactly, but sometimes I have this occur in some of the version 4.9.xxxx of MS-DIAL. Usually if I struggle long enough troubleshooting, I can get it to process, but it seldom works the first time.

In general, I think MS-DIAL struggles to process timsTOF data. It's not clear if this is on MS-DIAL or Bruker side of things.. I've also had trouble processing TIMS data with other software as well. I have observed this with timsTOF Flex data, and mecolley says this occurs with both timsTOF Pro and timsTOF Flex data. Thanks!!!

Take care, Triston