Subject: 回复:Re: [nmr_sparky] I-PIN E failed in job submission
From: wenkai zhu
Date: Jun 14, 2018

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Dear Woonghee,

Its good news for us that new version will be publicly published and thank you very much! I will use kr as you suggested and check my hbha(co)nh spectrum. The code i use for peak picking is “ae” and “ep” for PINE automated assignment.

Cheers,
Wen-Kai Zhu

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2018 年 6 月 15 日周五上午 11:30,Woonghee Lee woonghee791113@... [nmr_sparky]
nmr_sparky@yahoogroups.com 写道:

Dear Wen-Kai,

The version that I have which is not yet released can pick NOESY peaks and it automates everything including structure calculation.
It will be publicly published sooner or later. Until then, you can use restricted peak picking (kr)..
One thing you can check about your HBHA(CO)NH is referencing. Many bruker users have submitted incorrectly referenced data to I-PINE particularly in indirect H dimension.

Woonghee

On Thu, Jun 14, 2018 at 9:45 PM, wenkai zhu zhuwenkai93@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:

Dear Woonghee,


I was trying automated assignment by I-PINE and told the software has detected a problem:

*the experiment file hbhaconh.list is not in the standard format for HBHA(CO)NH.

I am surprised considering that all the spetrum lists were generated by apes. Please tell me how to solve it. Another question is why apes cant pick peaks for noesy type spectrum and what should i do to use 15N/13C noesy spetrum to assist my assignment By I-PINE?


Cheers,

Wen-Kai Zhu