Transfer Peak Table from one Project to another

[Manuel]

Hello everyone,

I wondered if there is an option to transfer your peak table from one project to another? I already found the format converter, but I do not know which format I should pick to re-import it into another ccpv2 project. If someone could help me with this problem, it would save me a lot of work, since I already have a fully assigned 2D HSQC spectrum, which I want to transfer peaks from.

If I try to import the said spectrum into my new project it only imports the peaks, but not the assignment of the peaks.

Kind regards

[VickyH]

Hi Manuel,

you can in fact do this with the DataShifter. In your ccpnmr/bin/ directory there is an executable called dataShifter.
If you run this (e.g. with yourPath/ccpnmr/bin/dataShifter), then you will get a window looking something like this:

Simply open two different projects, one on the left and one on the right. Then select your peak list in one project and click on an arrow to copy it over to the other project. You will be able to select which spectrum in the new project you want to link the peak list to. Don’t forget to click on Save project at the bottom for the project which you have changed.
I tried this out just now and it seemed to work - despite various warnings and errors on the console.

Vicky

[bosmith]

…and don’t forget to archive the projects before you attempt this!

Brian

SoMB, MVLS, University of Glasgow

[varioustoxins]

Hi Manuel

I have often found the nmrview formats work very nicely in V2 using the format converter. However with a different hat on I would say you should move to V3 and use NEF (the NMR exchange format) which is nicer… Please note V2 will no longer be officially supported as of 31/12/2024!

If you are using NEF v3 works well with it and I have some nice tools for working with it

see NEF-Pipelines GitHub - varioustoxins/NEF-Pipelines: Nef tools

regards
Gary