See the news at http://prime.psc.riken.jp/Metabolomics_Software/.
I hope that all of issues discussed in this forum was fixed and updated by this version.
Thanks,
Hiroshi
Hello Hiroshi,
Thank you for the updates! Really cool to have updated tools for processing, analysis and annotation!
Question: With issues such as 'version control' / 'versioning' how does one keep track of various versions and their capabilities or say, changes?
Would it be not very helpful for the user community to learn as to whats "new in this version" (i.e., ion-mobility) or if 'anything has changed' (i.e., processing algorithm etc.) ? In that case, a short note as a .txt file/ PDF stating it explicitly with every newly released version would be helpful for all users for both the tools? I see a lot of versions over the past year (which is great!) and then the recommendation automatically becomes to use the 'latest release' ?
Looking forward to more excellent functions and newer tools in the New Year 2020 from you!! All our best wishes for a prosperous and productive new year!!!
Thanks a lot,
Biswa
Thank you very much, Hiroshi!!
By the way, I want to know if it is possible to include CAS number information for those identified compounds when exporting alignment results?
kind regard,
Qizhi Su
Hi Biswa,
Question: With issues such as 'version control' / 'versioning' how does one keep track of various versions and their capabilities or say, changes?
I am posting the news in the "New Features and Changes" of the following website.
http://prime.psc.riken.jp/Metabolomics_Software/
If you go to the "change log", you can check all the history logs for msdial, msfinder, and mrmprobs etc.
Also, in the MS-DIAL program, if you export the parameter setting file from
Export -> Alignment result exort -> Check "Parameter":
Here, you can find the version number of MS-DIAL to know which MS-DIAL version was used to generate the alignment result.
Also, from 4.10, I also made a history tracking function in MS-DIAL to parse
(1) if users changed the annotation (from search function) or not
(2) if users modified the peak integrations (from aligned EIC chromatogram tab) or not.
You can find the information in the alignment result file.
->Qizhi
CAS...in principle, of course yes, but if I make such information, I will provide more database ID information including HMDB, KEGG etc as also described in my msfinder project. I will try to provide such a database information in the MS-DIAL project window. Meanwhile, of course, you can use
PubChem identifier exchange service: https://pubchem.ncbi.nlm.nih.gov/idexchange/idexchange.cgi
CTS: http://cts.fiehnlab.ucdavis.edu/
for your purpose.
Hiroshi
That is great! thank you very much.