The new tool greatly simplifies NMR based fragment screening.

  • User actions are tracked within an xml file allowing more than one user analyzing a data set
  • Reporting of results in Microsoft Excel format
  • Implementation inside Topspin allows processing and analysis at the same time. The current status of a project is saved on the fly in a project file and is reloaded each time the screening tool is started within a defined project folder
  • Supported NMR data: 1D 1H spectra with water suppression, 1D 19F spectra, automatic recognition of the spectra type: Saturation Transfer Difference, waterLOGSY, T2 and T1rho