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few Lipids from Lipimatch are not getting convrted #13

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yashwantkumar opened this issue Oct 19, 2020 · 15 comments
Open

few Lipids from Lipimatch are not getting convrted #13

yashwantkumar opened this issue Oct 19, 2020 · 15 comments
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enhancement New feature or request

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@yashwantkumar
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Cer-NDS(d20:0/18:0)

Cer-NS(d18:2/22:0)

HexCer-NS(d18:1/23:0)

plasmanyl-TG(O-20:0_14:0_18:2)

These lipids identification is the output of lipidmatch. Software could not convert into lipidlynx format.

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@yashwantkumar yashwantkumar added the enhancement New feature or request label Oct 19, 2020
@ZhixuNi
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ZhixuNi commented Oct 19, 2020

Hi @yashwantkumar !
Thank you very much for submitting this issue!

The Cer class has generally more issues since there are many different additional markers.
We are making an upgrade of the nomenclature decode module with special focus on Cer, HexCer, SM, and SPB.
Can you tell me which version of Lipidmatch are you using now, and which distribution of LipidLynxX are you using (e.g. Source code, exe, or online version on LIPID MAPS)? I will have a more closer look.

I hope we can find a more generic solution for this kind of issues and fix it in the next release.

Best,

Zhixu Ni

@yashwantkumar
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yashwantkumar commented Oct 19, 2020 via email

@ZhixuNi
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ZhixuNi commented Oct 19, 2020

Many thanks for the information!
I'm not able to get the attached file you mentioned through email reply.
Can you please use the GitHub native reply and upload attach files again?
Instructions here:
https://github.blog/2015-09-25-attach-files-to-comments/
Thanks!

I am using lipidmatch flow (http://secim.ufl.edu/secim-tools/lipidmatchflow/). I have also attached the list of lipids that can be identified from lipidmatch flow (with all possible unusual names). Please check that.I am using http://lipidmaps.org/lipidlynxx/ for conversion. lipidR 2.2.0 version of lipidR has been installed.

On Mon, Oct 19, 2020 at 4:49 PM Zhixu Ni @.***> wrote: Hi @yashwantkumar https://github.com/yashwantkumar ! Thank you very much for submitting this issue! The Cer class has generally more issues since there are many different additional markers. We are making an upgrade of the nomenclature decode module with special focus on Cer, HexCer, SM, and SPB. Can you tell me which version of Lipidmatch are you using now, and which distribution of LipidLynxX are you using (e.g. Source code, exe, or online version on LIPID MAPS)? I will have a more closer look. I hope we can find a more generic solution for this kind of issues and fix it in the next release. Best, Zhixu Ni — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub <#13 (comment)>, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABVV2U3PHLBRKOYNPFOQMQTSLQOEDANCNFSM4SV7DB3A .

@yashwantkumar
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yashwantkumar commented Oct 19, 2020 via email

@yashwantkumar
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names_lipids.xlsx

@yashwantkumar
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please check

@ZhixuNi
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ZhixuNi commented Oct 19, 2020

names_lipids.xlsx

I got his file, thanks!
Can you send me Cer_H.csv, CerP_H.csv and PlasmenylTG_NH4.csv as well?
Which export format you want to use?
e.g.
Shorthand @ Molecular species level
COMP_DB @ Bulk level

Thanks!

@yashwantkumar
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yashwantkumar commented Oct 19, 2020 via email

@ZhixuNi
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ZhixuNi commented Oct 19, 2020

.csv file contains MSMS id information. Should I sent that to you? I would like to use lipidR without missing any lipid so any format is fine.

On Mon, 19 Oct 2020 at 17:16, Zhixu Ni @.***> wrote: names_lipids.xlsx https://github.com/SysMedOs/LipidLynxX/files/5401463/names_lipids.xlsx I got his file, thanks! Can you send me Cer_H.csv, CerP_H.csv and PlasmenylTG_NH4.csv as well? Which export format you want to use? e.g. Shorthand @ Molecular species level COMP_DB @ Bulk level Thanks! — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub <#13 (comment)>, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABVV2U22FPOZX2ZRLJM7YD3SLQRILANCNFSM4SV7DB3A .

Can you send me these csv file via Google Drive / One Drive?
I need the exact names in the csv, You can delete the ms2 info if you want.
You can send the link to my email: zhixu.ni <#at> uni-leipzig.de

Thanks!

@yashwantkumar
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yashwantkumar commented Oct 19, 2020 via email

@ZhixuNi
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ZhixuNi commented Oct 19, 2020

shared on your email ID. zhixu.ni@uni-leipzig.de

Many thanks @yashwantkumar !
I've downloaded these files and will have a look soon.
I'll update you when the fixed version is available.

Best,

Zhixu Ni

@yashwantkumar
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yashwantkumar commented Dec 7, 2020 via email

@ZhixuNi
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ZhixuNi commented Dec 9, 2020

Hi @yashwantkumar !

I've fixed it on a develop branch using a lite collection of the names you provided, but still no GUI available.
Due to the current plans, this fix will be tested with other improvement including speed upgrade and will be released in January I hope.
Once this upgrade is ready it will be available with GUI and the version on LIPID MAPS will be upgraded as well.

Thank for the feedback again, I will notify you again when the fix is online.

Best,
Zhixu Ni

@yashwantkumar
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yashwantkumar commented Dec 9, 2020 via email

@slavnycoder
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slavnycoder commented Jun 28, 2021

unconverted.txt
here is mine list of unconverted lipids (Lipidsearch output). Could you give an advice, how to link these lipids manually?

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