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yguitton / metaMS

data processing for MS-based metabolomics
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xcms 3.0 and metaMS #9

Open yguitton opened 5 years ago

yguitton commented 5 years ago

Hi Ron,

Is it on your todo list to make metaMS compatible with xcms 3.0 ?

i'm asking because i would like to use your package functionalities with high resolution GCMS data and i think that centwave would be more adapted.

Regards Yann

rwehrens commented 5 years ago

Hi Yann,

that is an easy question with a not-so-easy answer... I would love to do so but since metaMS is lower on my priority list than ever (I am collaborating with metabolomics people who do not use xcms as a pipeline tool) I am afraid I cannot make any promises. To be honest, I do not even know what the incompatibilities with xcms 3.0 are... Would you care to elaborate?

The GC part of the metaMS pipeline is only for nominal mass data, anyway.

Cheers, Ron

On 11-10-18 16:34, Guitton Yann wrote:

Hi Ron,

Is it on your todo list to make metaMS compatible with xcms 3.0 ?

i'm asking because i would like to use your package functionalities with high resolution GCMS data and i think that centwave would be more adapted.

Regards Yann

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yguitton commented 4 years ago

I still have some work to do to be sure but it seems that you can start a runGC with an xset from xcms 3.x. I will work on that with @jsaintvanne