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LiChenPU / NetID

A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery
GNU General Public License v3.0
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QUESTION: MS2 spectrum production #1

Open ianchlee opened 3 years ago

ianchlee commented 3 years ago

Hi, may I ask how do you produce the ms2 data in .xlsx in Mouse_liver_neg\MS2_neg_200524?

Thanks!

LiChenPU commented 3 years ago

Hi disneian,

Thanks for trying our code!

We updated the NetID_user_guide in the get started folder. See if it helps, and let us know if you have any questions.

Best,

Li

发件人: @. @.> 代表 disneian 发送时间: Thursday, April 15, 2021 11:45 AM 收件人: LiChenPU/NetID @.> 抄送: Subscribed @.> 主题: [LiChenPU/NetID] QUESTION: MS2 spectrum production (#1)

Hi, may I ask how do you produce the ms2 data in .xlsx in Mouse_liver_neg\MS2_neg_200524?

Thanks!

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ianchlee commented 3 years ago

Hi Li,

I have read your updated manual and tried El-MAVEN. I saw in the manual that the MS2 data is targeted. Does that means we cannot use untargeted MS2 data?

LiChenPU commented 3 years ago

Hi disneian,

In this prototype, we are using the targeted MS2 to demonstrate the concept of global optimization with linear programming. Incorporating untargeted MS2 data is in our development plan. We anticipate it will not be too difficult because the NetID framework has already saved place to handle MS2 data.

Thanks again for your attention to our work!

Best,

Li

发件人: @. @.> 代表 disneian 发送时间: Friday, May 21, 2021 12:04 PM 收件人: LiChenPU/NetID @.> 抄送: LiChenPU @.>; Comment @.***> 主题: Re: [LiChenPU/NetID] QUESTION: MS2 spectrum production (#1)

Hi Li,

I have read your updated manual and tried El-MAVEN. I saw in the manual that the MS2 data is targeted. Does that means we cannot use untargeted MS2 data?

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