reference for CHESCA and CHESPA

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pothula purushotham reddy

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Dec 7, 2025, 6:07:12 AMDec 7
to NMR POKY/SPARKY USER GROUP

Hi Dr. Lee,

I am using the CHESCA and CHESPA algorithms to analyze one of my proteins, specifically the kinase domain. I would like to compare the CHESCA/CHESPA results with some of the mutant proteins.

In the CHESCA and CHESPA video tutorials, an internal reference compound (¹⁵N-acetyl-glycine) is mentioned. However, I did not include this internal reference in my protein samples. Can I still apply the CHESCA and CHESPA algorithms without the internal reference, or is it required for accurate analysis?


Thanks again for your support and help!

Best regards,
Purush



Lee, Woonghee

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Dec 7, 2025, 10:03:32 AMDec 7
to NMR POKY/SPARKY USER GROUP

Hi,

 

If your alignment between spectra is good, you will be still good to go.

 

Best,

 

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

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From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of pothula purushotham reddy <purush.r...@gmail.com>
Date: Sunday, December 7, 2025 at 4:07
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To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] reference for CHESCA and CHESPA

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