Scaling of spectra issue

[Markus Germann]

I have 2 different HSQC spectra that were identically processed in Topspin. If I superimpose them (Topspin)  they have the same intensity, the same base level etc. (eg. lowest positive 2.11e+6 vs 7.2e+6) If I integrate corresponding peaks they have the same intensity and same volume integrals. 

Now:

If I open them in sparky or poky the base levels are different! and also the intensity and integrals are different (~3 fold...... ?????)

Ideas? 

[Lee, Woonghee]

Base level is determined by noise estimation of the spectrum. That is normal default base levels are differently estimated for different spectral.

You can use “uc” to set them identical.

If you have scaled in TopSpin and if two spectra do not have the same “NC_proc” parameters, you will have different intensities depending on how you converted the data. If you use “bruk2ucsf” manually, you can actually add NC_Proc as a parameter additionally. When you run bruk2ucsf, it will tell you NC_Proc parameter is something (e.g. 2) but is using 0 because you haven’t put any number. In that case you can run again with the NC_Proc.

 

If you import by bulk importing tool (aka easy_bruk2ucsf) in Poky, it will detect and apply automatically.

 

Woonghee

 

--

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

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

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woongh...@ucdenver.edu

 

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Shipping/Mailing Address:

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From: <nmr-s...@googlegroups.com> on behalf of Markus Germann <germ...@gmail.com>
Date: Monday, September 6, 2021 at 1:28 PM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Scaling of spectra issue

 

[External Email - Use Caution]I have 2 different HSQC spectra that were identically processed in Topspin. If I superimpose them (Topspin)  they have the same intensity, the same base level etc. (eg. lowest positive 2.11e+6 vs 7.2e+6) If I integrate corresponding peaks they have the same intensity and same volume integrals. 

Now:

If I open them in sparky or poky the base levels are different! and also the intensity and integrals are different (~3 fold...... ?????)

 

Ideas? 

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[Markus Germann]

... that was eerily quick!

Thank you!

M