Assignment chemical shift precision

[Korey R]

Hello,

I have process spectra with nmrPipe and imported the spectra (including conversion to data type UCSF) into Poky. I have collected my spectra (1H-15N) on a bruker instument well enough to have 4 decimal places in the 1H dimension and 0.01 in the 15N dimension and processed the data with nmrPipe and confirmed with showhdr. After peak selection I have exported the data but the standard output is set to %.3f for 1H and %.1f for 15N. Is there a way to change the precision? 

With best,

Korey

[Lee, Woonghee]

Open the python console “py”, and run this.

 

print('\n'.join([f"{p.assignment}\t" + "\t".join([f"{f:.4f}" for f in p.frequency]) for p in s.selected_spectrum().peak_list()]))

 

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

 

Assistant Professor & Data Science and Chemistry Certificate Program Director

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A (office), Rm 4128 (dry lab), Rm 4133 (wet lab)

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

https://poky.clas.ucdenver.edu/wlee-group

https://clas.ucdenver.edu/chemistry/woonghee-lee

https://clas.ucdenver.edu/chemistry/data-science-and-chemistry-certificate

 

Shipping/Mailing Address:

Woonghee Lee

1201 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

 

From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of Korey R <r.k...@gmail.com>
Date: Thursday, March 12, 2026 at 11:27 AM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Assignment chemical shift precision

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