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Topic: To update manual modified alignment of LC peaks (Read 150 times) previous topic - next topic

To update manual modified alignment of LC peaks

Hi everyone,
I am working with MS-DIAL software (version 4.16, which give me back less issues) used for LC/MS and LC/MSMS data.
I tried to modify some uncorrected aligned peaks by manual correction, through the alignment chromatograph viewer for the simulatenous curation. In this panel, I can easily select the region of interest, also show the corrected retection time. After that, unfortunately, it is any possibility to update the manual modification (it appears as the button doesn't work correctly). What I shoud do to fix this issue?

Thanks in advance.

Sabrina

Re: To update manual modified alignment of LC peaks

Reply #1
Hi,

you meant, even though you followed the attached procedures, you cannot reflect the result? Otherwise, could you please use the latest version?

Hiroshi

Re: To update manual modified alignment of LC peaks

Reply #2
Hi Hiroshi,

Thank you for your reply. Yes, it is what I meant.
Please find attached an example on my data. Here, I used MS-DIAL 4.20.
I have already follow the procedure 1) and 2). As you can see, it is simple to obtain the corrected alignement after selecting the RT range. Otherwise, I would like to report this modification on the data, but it is not possible (even if I click to update...).
Also, I do not understand why the third image is equal to the first one...

Best regards,
Sabrina

Re: To update manual modified alignment of LC peaks

Reply #3
Hi Sabrina,

as long as I see your picture, the first and third images are different.
Please check the following things.

1. please open "Sample table viewer" as well from the same place as you can open the aligned chromatograms.
2. confirm the "not-good" chromatogram peak shape on the sample table viewer.
3. Do the manual peak modifications in the aligned chromatogram viewers.
4. Then, confirm the chromatogram peak of the second step.

BTW, on the sample table viewer, you can also modify the peak information. Please double click on the chromatogram that you wanna modify. Then, you will see how to modify the peak.

Thanks,

Hiroshi

Re: To update manual modified alignment of LC peaks

Reply #4
Hi Hiroshi,

Thanks again.

Maybe, the only thing I can see in the table viewer is the modified peak area (not a better alignment of peaks...). Thank you for your suggestions. Probably, I should modify some parameters to obtain well-aligned peaks.

Best regards,
Sabrina