ACD/1D NMR Manager

What's New

Version 4.0 to 4.5

• Practically each action with the spectrum is tracked and written to a log (history feature).
• New Macro capabilities including templates and macro organizer.
• Table of multiplets and coupling constants:
  • selection of multiplets and coupling constants in spectrum
  • assignment of multiplets with coupling constants to chemical structure
• More formats supported:
  • MacNMR, Nicolet/GE CHARMM, Jeol Generic v1.0 and 2.0)
• Solvent suppression:
  • Filtering in frequency domain
  • Filtering in time domain
• Improved baseline correction:
  • additional automatic method (Spectrum Averaging)
  • manual correction (by multiple points and spline)
  • correction of the entire spectrum or the region of interest
• Spectrum curve editing:
  • interactive spectral point adjustment
  • setting selected region to constant
  • cut off selected region of interest
• Improved reference capabilities
  • Autodetect TMS and solvent peak(s) in 1H and 13C NMR spectra
• Spectrum Reverse command.
• Option for adjustment of manual phasing speed.
• Improved AutoSimple phasing routine.
• Pop-up window for chemical structure.
• Flexible zoom for calculated and experimental spectra.
• Status bar option for displaying any spectrum parameter or user data value on the status bar.
• Enhanced support for VNMR and XWINNMR data formats:
  • import of table of integral ranges for processed spectra: 'phasefile' (VNMR) and '1R' (XWINNMR)
  • import of table of peaks for 'phasefile' (VNMR)
  • import of phase parameters for VNMR and XWINNMR acquisition data (except for digital XWINNMR data)
  • ESP name generation system taking into account spectra high-level directories structure
  • conversion procedure for digital XWINNMR data allowing to remove interaction between digital filter and subsequent processing steps.
• New reporting features:
  • multipage report setup dialog
  • option for graphic resolution setup.