https://drive.google.com/drive/folders/1UELnpF1YNSgNIQqlM77-_Unkq2nvOIVR
It is recommended that you keep the location of the projects and data as is to ensure projects open effectively (data can be recloated but requires the user to 'validate paths' within the software)
Are avaialble in the playlist
Profile By Reference
Create Database Reference
Pipeline & Decomposition (PCA)
open terminal on the ubuntu cluster
type the following command
analysis3metabolomics
If you are unable to join us in person at the Liverpool Highfield NMR facility computer cluster please ensure you download the CCPN Analysis Metabolomics software ahead of time (note programme is 1 to 1.3GB so allow plenty of time to download, install and update when prompted):
https://ccpn.ac.uk/software/downloads/
If you are already on version 3.2 please launch and update (Help > Check updates) ahead of time.
If you are uncertain on your version please check that the launched software indicates version 3.2.8
https://ccpn.ac.uk/software/analysismetabolomics/
For feedback and further queries regarding the CcpNmr AnalysisMetabolomics software (report bugs, ask for help or post information for the wider biomolecular NMR community) please visit the ccpn forum:
Below are links to resources covered during the talks - please select the relevant heading to view contents
metabolites
CASMDB
Hayward et al 2024 https://doi.org/10.1101/2024.05.05.592402
NMR facilities