Hi Hiroshi and team,
I'm running MSDIAL (v4.12) terminal version in a script as part of my automated workflow. I was getting stuck and have a few questions that hopefully you could help with. Thanks a lot in advance!
1. I can't get the compound identification working from MSDIAL terminal version.
In the method file, I have specified the path to an MSP file, however I don't see any compound annotations at all in the resulting .msdial file. I assumed that compound annotations would be indicated in the 'Title' and 'Dot product' columns of the .msdial file, is that correct?
I've attached a zip file containing method file, the msp file and the output msdial file. The same files when used with the GUI worked fine. Any chance you could take a look, that would be great.
2. Would it be possible to run the CorrDec method from the terminal? I don't see any option to specify that in the method file.
3. Can I export a peak list as .msp format from MSDIAL terminal version, instead of getting the .msdial output? This would be similar to doing to Export > Peak list result from the GUI. That would give a quick way to see the identified compounds and their spectra.
Have a nice day, and thank you so much for your help.
Joe
Hi MSDIAL team and all,
It seems that point 1 above has been fixed in the latest version (v.4.24). If somebody could help with 2 and 3 above, that would be great. Thanks.