ssPINE Pre-Assignment

[Maia Sraga]

Hello,

When enabling the pre-assignment option during submissions to ssPINE, should all the peaks we want assigned be labelled in all the submitted spectra? Or is it sufficient to just have the NCACX peaks labelled?

Thank you,

Maia

[Lee, Woonghee]

Maia, just one is enough. If the given assignment makes sense, it will be prioritized. However, if that doesn't make sense at all from the data, it will still be neglected. 

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
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woongh...@ucdenver.edu

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From: pinenmr-u...@googlegroups.com <pinenmr-u...@googlegroups.com> on behalf of Maia Sraga <maia.cy...@gmail.com>
Sent: Friday, August 8, 2025 6:48:53 PM
To: Automatic NMR assignment (I-PINE/ssPINE/RNA-PAIRS/MAGIC-ACT) user group <pinenmr-u...@googlegroups.com>
Subject: ssPINE Pre-Assignment

 

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