Metabolomics Society Forum

Software => MS-DIAL => Topic started by: QizhiSu on July 13, 2021, 06:11:50 AM

Title: Processing GC x GC-MS data
Post by: QizhiSu on July 13, 2021, 06:11:50 AM
Hi,
Does anybody know if MS-DIAL is capable of processing GC x GC-MS data ?
If not, any recommended open-source tools?

Best,
Sukis
Title: Re: Processing GC x GC-MS data
Post by: biswapriya on September 03, 2021, 10:46:14 PM
Hi,
Wish it did! Would have made my Postdoc life way easier!
No solutions that are non-MATLAB till now.

AMDIS from NIST DOES handle it, well or not, not sure, but can load and annotate!: )

The closest comes to mind is RGCXGC on CRAN:https://cran.r-project.org/web/packages/RGCxGC/vignettes/Explanation.html  / https://github.com/DanielQuiroz97/RGCxGC  and osd from Xavier Domingo-Almenara : https://cran.r-project.org/web/packages/osd/index.html . Both should be fine but I have never tried them!

r2d2web is another solution: https://www.eposters.net/pdfs/r2d2web-a-comprehensive-gc-open-software-and-colaborative-database-to-analize-metabolomic-data-from.pdf

The GCXGC field is such monopolized by vendors and their expensive solutions, its  a pity! Any other stand alone solutions are SUPER EXPENSIVE and not so user friendly at all. Such as: GCImage https://www.gcimage.com/gcxgc/ or Decodon https://www.decodon.com/  that are excruciatingly expensive!

Thanks,
Biswa
Title: Re: Processing GC x GC-MS data
Post by: QizhiSu on September 04, 2021, 02:26:02 AM
Thanks for your hints Biswa.

Best,
Sukis