AnalysisMetabolomics is designed for the analysis of NMR Metabolomics data. Currently still at the beta-release stage, this part of our program is being actively developed by a PhD student in our group and benefits from our collaborations with academics involved in this field.
Excellent handling of 1D spectra
Load, zoom, pan and peak pick large numbers of 1Ds quickly and easily. Create stacked plots with bespoke X and Y offsets.
Principle Component Analysis
Analyse your results using PCA tools with direct links between graphs and spectra.
CASMDB
The CcpNmr Analysis Simulated Metabolomics DataBase is a curated database of metabolites based on HMDB, BMRB and GISSMO data and available for download.
Profile by Reference
Profile 1D metabolomics spectra using reference data from our CASMDB database. Simulations allow you to adapt to your field strength and conditions.
Extract relative quantities
Obtain relative quantification in tabular form for easy export.
Create Database Reference
Create your own bespoke database reference compounds based either on peaks or the specification of a full spin system.
