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Messages - QizhiSu

47
MS-DIAL / Re: Updates of MS-DIAL and MS-FINDER for Windows/Mac/Linux
Happy new year! Wish everything goes well with you.

Thanks a lot to you and your team for the fantastic work!
By the way, do you think it is feasible to implement structure viewer in MS-DIAL in the future? That would be fantastic! If a feature is identified in MS-DIAL (with SMILES), then we can see the structure directly in MS-DIAL.

Best,
Sukis
48
MS-DIAL / Re: (Post)Alignment Processing - Blank filter option
Hi FalcoB,
Did you untick "Keep 'reference matched' metabolite features" and "Keep 'suggested (w/o MS2)' metabolite features" in the alignment tab? In my understanding, if you tick any of these two options, then you will have some match/suggested features kept in the list even though they are in blanks as well. I had the same confusion before, but now, when I untick them, the final list is good now.

Best,
Sukis

50
MS-DIAL / Re: Processing CCS files from Waters Vion ?
Quote from: Hiroshi Tsugawa – on
Hi Sukis,

sorry for this very late reply. Recently, Dr. Kyo Bin Kang successfully uses MS-DIAL for UNIFI data but not for IM-MS.
What he did is to generate ".raw" format file by the UNIFI system, then, he used abf converter. That's all actually.
If the ibf converter does not work for the .raw file format generated by the UNIFI system, please let us know.
I am very sorry for this inconvenience.

Thanks,

Hiroshi

Hi Hiroshi,
Could you please tell me how to export .raw file from UNIFI? because our Waters technician told me that it is not possible to export .raw file. I am confused. Or maybe you can give me the emial of Dr. Kyo Bin Kang, so that I can contact him directly.

Best,
Sukis
51
MS-DIAL / Re: Missing metadata in MS-FINDER
Things to add.
I mean metadata is correctly displayed in MS-DIAL but not MS-FINDER if a feature is identified by post-identification. However, if a feature is identified by library match, it is fine.
52
MS-DIAL / Missing metadata in MS-FINDER
Dear Hiroshi,
　I recently found a tiny issue with the export function from  MS-DIAL. If a feature is identified by library match, then the exported feature in MS-FINDER is fine. If the feature is identified by post-identification, Metadata, e.g., formula, smiles, inchikey,  is correctly displayed, but the metadata is missing when exporting them to MSFINDER. Is it designed purposely?

Best,
Sukis
53
MS-DIAL / Re: identified compounds
Hi Dr. GAO,
It depends on if you are working on a particular sample or the alignment. If you double click any sample file in the "File navigator" then the software will directly switch to "peak spot viewer" where you can only see peak detected in this sample.  If you choose any alignment in the "alignment navigator", then you will see all peaks aligned together across all samples in the "alignment spot viewer". when you click any spot in the "alignment spot viewer", you will see the intensity of this peak across all samples in "bar chart of aligned spot (NH)".
I hope my answer is helpful.

best,
Sukis
55
MS-DIAL / Re: MS-FINDER search problems (compound annotation)
Hi viniciusgw,
You can just select the feature in MS-DIAL, right-click, and then directly exported it to MS-FINDER. Or you can export all peaks to a folder (if I remember, they are in *.MAT format), and then open them in MS-FINDER. Both ways work fine.

Best, Sukis.
56
MS-DIAL / Re: alignment table with areas per file?
Hi wenzig,
I think you can get this information by exporting the alignment table. It includes all features and their peak area/height in all samples.

Best,
Sukis
57
MS-DIAL / Re: Problems with the alignment process
Hi viniciusgw,
Sorry that I don't know what is your problem. Maybe you can try even a lower cut-off, for example, 100, just to see if the sample indeed does not contain peaks?
For the use of MS-DIAL and MS-FINDER in windows 10, I don't have to set anything with the English version Window 10 (version 2004).

best,
Sukis
59
MS-DIAL / Re: Processing CCS files from Waters Vion ?
Dear Hiroshi,
Do you have a solution to work with Waters Vion ccs file (UNIFI) now? or Could you tell me which equipment did you use for testing MS-DIAL? It could be useful information when considering to buy a new equipment.

Best,
Sukis