Subject: Re: [nmr_sparky] I-PINE failed in job submission
From: Woonghee Lee
Date: Jun 14, 2018

Previous: 1378 Next: 1380


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