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kkpsiren / vesi

Supervised GC-MS learning from raw data
https://doi.org/10.1016/j.acax.2019.100005
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Missing File? #5

Open LaneMatthewJ opened 2 years ago

LaneMatthewJ commented 2 years ago

Hello!

In attempt to run this program, it appears as if your example project is missing the metadata file.

Could you please add this?

Thank you! Matt

JVestner commented 2 years ago

Hi Matt, 

 

thanks a lot for your interest in the code, and my apologies for the late reply. 

 

I archived the project folder, as we do not really use that code anymore. I remember that it was quite messy anyway. Moreover, I'm pretty sure that I revised the entire algo without sharing the revised code...

 

If you could give me a little information on who you are and what your interest is (academia, industry etc?), I could check my archive and share the revised code. 

 

Cheers 

Jochen

 

 

PS: Please use "answer all"

 

   

Gesendet: Montag, 14. März 2022 um 22:01 Uhr Von: "Matt Lane" @.> An: "kkpsiren/vesi" @.> Cc: "Subscribed" @.***> Betreff: [kkpsiren/vesi] Missing File? (Issue #5)

 

Hello!

In attempt to run this program, it appears as if your example project is missing the metadata file.

Could you please add this?

Thank you! Matt

— Reply to this email directly, view it on GitHub, or unsubscribe. Triage notifications on the go with GitHub Mobile for iOS or Android. You are receiving this because you are subscribed to this thread.Message ID: @.***>

LaneMatthewJ commented 2 years ago

Hi Jochen!

I'm a doctoral student working in a computational biology lab at ORNL. Currently, we're trying to find the best method for extracting peaks from some GC-MS data. We have a number of hand selected peaks from collaborators who have identified particular known peaks (at both high and low intensities).

I've been using XCMS, but it's still missing some peaks that our collaborators have identified. I found your paper and thought I would give it a try to see if your method could better extract the known peaks (as well as other unknown peaks).

I remember that it was quite messy anyway. Moreover, I'm pretty sure that I revised the entire algo without sharing the revised code...

For your revised algorithm, is it using a similar methods, or did you revise it completely from the ground up?

And thank you so much for responding! Matt