Analysis Assign Query - Assigning spectra peaks based on literature peaks

[VickyH]

Hi Ben,

just put instructions for that in the other thread you started!

Assignment transferring - Ligand-bound spectra and unbound spectra

It looks like we do (as part of the Chemical Shift Mapping) - though I’ve only just tried it out for the first time! Take your unbound and bound spectrum and put them into a SpectrumGroup (easiest is to select both in the sidebar and then right-click / Make Spectrum Group from Selected). Then go to Spectrum / Peak Collections. I used the following options: [Screenshot 2025-07-04 at 12.11.25] The main thing is the select Follow Peaks, Use Existing Peaks, Minimal Distance for the Method and …

Vicky