We`ve been having a bit of a play with NEF export & import and hit several issues.
1. The tutorial on NEF export/import https://www.ccpn.ac.uk/v3-software/tutor...orter/view
suggests that you don`t need to export the ChemicalShiftList, but this does not seem to be true if you want to import into an empty project.
2. Attempting to import a second NEF file containing data for a chain with the same chain letter as the existing chain causes a namespace conflict. There doesn`t seem to be a way of indicating that the incoming chain should be given a different designation to avoid this. Is there stand alone code to manipulate NEF files yet?
3. Attempting to import a second NEF file containing data for a chain with a different letter to the existing chain causes errors like
WARNING: Error loading Nef file: Cannot create NmrResidue with reserved name @15 (ContextManagers.catchExceptions:467)
arising from the first of the incompletely assigned chemical shifts in the chemical shift list, or that`s attached to a peak in the exported peak list (if the chemical shift list is not exported). The exporter should probably exclude the shifts that aren`t assigned to the chosen chain to avoid this or something like the molecular system in the underlying data model should be used to keep data compartmentalized.
Hi,
Point 1:
As for the import of the NEF files (and specifically the option to select which data to import) - this is on TODO list with reasonably high priority.
Point 2:
For time being I avoid that by first changing the chain name in Project and then import new one - not the best option I admit.
Point 3:
I have to say I have not yet seen this (ContextManagers.catchExceptions:467), I do get other errors with similar imports.
`The exporter should probably exclude the shifts that aren`t assigned to the chosen chain to avoid this or something like the molecular system in the underlying data model should be used to keep data compartmentalized.` = be given an option what to do with the shift that is not assigned?
Would it be possible for you to send me those NEF files?
Eliza
Thanks for the response Eliza. Files emailed to the ccpnmr3 address.