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Topic: crash MS-DIAL --> MRMPROBS (Read 4151 times) previous topic - next topic

crash MS-DIAL --> MRMPROBS

Hi Hiroshi,

I am experiencing a crash with MS-DIAL (v.4.12) when exporting the aligned focused (target) peak spot to MRMPROBS format file
(as described in Section 5-3-1, here: https://mtbinfo-team.github.io/mtbinfo.github.io/MRMPROBS/tutorial)

The program crashes and an empty txt file is created (only the headings are there). The function works fine instead if I do not select (tick the box) with the option "focused (target) peak spot" (which instead only produces a file with always the same reference peak spectra).

Thanks

Stefano

Re: crash MS-DIAL --> MRMPROBS

Reply #1 –
Hi Stefano,

sorry, I could not reproduce your situation. Could you please share the screenshot of mrmprobs format export that you utilized?
Thanks,

Hiroshi

Re: crash MS-DIAL --> MRMPROBS

Reply #2 –
Hi Hiroshi,

I am using GC-MS data. Attached the export settings.

The "Save" function from focused spot creates an empty .TXT file with only the headings
(Compound name   Precursor mz   Product mz   RT min   TQ Ratio   RT begin   RT end   MS1 tolerance   MS2 tolerance   MS level   Class)

The "Copy" function does not seem to work either.

I guess I am doing something wrong.

Thanks!

Re: crash MS-DIAL --> MRMPROBS

Reply #3 –
Hi Stefano,

I could reproduce the issue, and I fixed the program. (next week, I will upload the new version of MS-DIAL.)
Meanwhile, please do not tick "Use reference spectrum to make MRMPROBS library" if your spectrum is "unknown". The program will try to use the reference (library) spectrum to generate MRMPROBS library file if it is ticked. If you do not tick it, MS-DIAL will use the experimental spectrum to generate the MRMPROBS library. Ane no error is occurred in the current version.

Thanks!

Hiroshi

Re: crash MS-DIAL --> MRMPROBS

Reply #4 –
Thanks a lot Hiroshi, you are so fast! :) Looking forward for the next version
 

Re: crash MS-DIAL --> MRMPROBS

Reply #5 –
Hi Hiroshi,
Thanks for fixing this, it seems it is not crashing anymore. But I am still experiencing some little problems with this. I am using MS-DIAL v 4.18, anf GC-MS data.

First, I tried to change one of the unknown aligned peaks to the metabolite name (my internal standard) and I would like to export only that peak to MRMPROBS. During the process it happens this:

1) if I don´t tick "export the focus (target) peak spot", then MS-DIAL exports all the features (unknown labels)
2)  if I tick "export the focus (target) peak spot", MS-DIAL exports the correct feature, but the unknown number (e.g. 218) is not from the alignment results, but from a single sample focus spot (e.g. 228). Also, it is not reporting the metabolite name, that would be useful too.
3) if I instead right click on the aligned spot, and I select "copy as MRMPROBS reference format", I only get the metabolite name (the one I wrote), but nothing else

If possible, it would be great to be able to export the aligned spots!

Thanks a lot!

Stefano