Peak assignments

Om Shrestha

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Mar 2, 2021, 10:50:24 AM3/2/21

to NMR POKY/SPARKY USER GROUP

Hi Woonghee,

I am transferring assignment from BMRB to an inhouse HSQC. After reading the BMRB peak list in HSQC spectrum, I try to show peak list (LT) again. At this time I am only able to see the chemical shifts but not the assignment in the peak list. Is there a way to transfer peak list with assignments?

Also I can see the assignment labeled in the HSQC spectrum but not in peak list.

Thanks for your help.

Best,

Om

Lee, Woonghee

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Mar 2, 2021, 10:55:21 AM3/2/21

to omshr...@gmail.com, NMR POKY/SPARKY USER GROUP

Hi Om,

It is a little difficult to understand what tools you’ve used.

You can simply use “ta” tool to generate assignments with “_s” tags and confirm using “ut” or “cu”.

Is that what you are asking?

Best,

Woonghee

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Woonghee Lee, I.E.I.P., M.S., Ph.D.

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Om Shrestha

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Mar 2, 2021, 11:24:19 AM3/2/21

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Hi Woonghee,

I used Extensions -> Peak -> Read peak list (rp). Then in the Read Peak List ; I browse to my peak list "txt file" and selected the 15N-HSQC spectrum, then Create peaks. After doing this it created peak from my "txt file" in the HSQC spectrum.

I also tried "ta" command to read BMRB peak list but for some reason, I am not able to transfer peak from .str files. I am getting "0 peaks were populated" msg.

Best,

Om

Lee, Woonghee

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Mar 2, 2021, 11:35:57 AM3/2/21

to Om Shrestha, NMR POKY/SPARKY USER GROUP

Hi Om,

Maybe your NMR-STAR file is incompatible for some reason. If you don’t mind you can send me the file (probably not while you are employee of a company now). Also, make sure your assignment label is correct in the .txt file.

Best,

Woonghee

--

Woonghee Lee, I.E.I.P., M.S., Ph.D.

Assistant Professor

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

https://sites.google.com/view/wlee-group