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Bruker Data and Carbon Referencing - nathan.wong - 01-15-2021

Hello!

As far as I am aware, Bruker uses a material aside from TMS for referencing in the carbon dimension, which can lead to an offset in a signal's ppm. In CCPNMR, is this offset corrected for Bruker data, or do I need to do so manually? Is there a way to manually adjust the carbon dimension to make data from Bruker IUPAC compatible?

Thank you for any advice or corrections you can offer for this!

-Nathan


RE: Bruker Data and Carbon Referencing - VickyH - 01-15-2021

Hi Nathan,

Analysis doesn't make any automatic corrections of that type. The referencing is dependent on how it was processed and Analysis simply takes the values directly from the data file. You can manually adjust the referencing within the program in one of several ways if you want:
- right-click in a spectrumDisplay and go to Callibrate for interactive callibration
- select two peaks in different spectra, right-click on one of them and go to Callibrate Spectra from peaks
- double-click on a spectrum in the sidebar and go to the Dimensions tab to change the referencing values by hand

With regard to the Bruker issue, you might find this an interesting article to read https://link.springer.com/article/10.1007%2Fs10858-011-9600-7, in particular the Supplementary Info http://marioschubert.ch/pubs/26_aeschbacher_2012_JBiomolNMR52_179supp.pdf . It talks about the Bruker 2.66ppm offset and how to reference your data correctly.

Hope this helps,

Vicky