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michaelmarty / UniDec

Universal Deconvolution of Mass and Ion Mobility Spectra
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Suggestion for MetaUniDec to skip bad runs #55

Closed mzhou2012 closed 2 years ago

mzhou2012 commented 3 years ago

Hi Michael, I have a suggestion for MetaUniDec to skip "bad" runs. In batch runs some bad runs may have nearly no signal (just noise), when UniDec goes through the data in HDF5, a bad run will cause it to stop processing further. I also can't find good place to edit HDF5 directly. The only way I found is to recreate HDF5 file without the bad runs. Retyping the variables can be tedious. Another small suggestion is to export file names/variables in the txt output in UniDec.

Thanks, Mowei

michaelmarty commented 3 years ago

Hey Mowei! I think you can do this by right clicking on the list of spectra on the left and deleting individual spectra, which will also delete them from the HDF5 file. Give that a try and see if it does what you are hoping. Thanks! MTM

michaelmarty commented 2 years ago

Hi Mowei, Ok, after a long time, I think I finally fixed this. It should be much more error tolerant in version 5.1.0. Stay tuned for the release or email me if you want a sneak peak. Thanks, MTM