ACD/1D NMR Processor

ACD/1D NMR Processor also includes ACD/ChemSketch Modules.

General Processing Features

ACD/1D NMR Processor's spectrum processing capabilities let you:

• Import a wide variety of NMR data formats;
• Import vendor-specific files
  • Identify relevant files and folders from different vendors with ease;
• JCAMP export of structure, spectra, and tables of assignment and peaks;
• Preview a spectrum before opening a file;
• Full audit trail feature (History) tracks every applied processing command;
• Macro capabilities including templates and macro organizer for completely automated data processing;
• Multiple window display: tile, replace, or overlay mode;
• Synchronize the axes in a multiple window display;
• Flexible zooming options;
• Zero filling, weighting functions, FID shift, and Fourier transform;
• Interactive apodization so that you get immediate feedback for changing the windowing parameters;
• Calculation of Power and Magnitude spectra;
• Automated and manual phase correction;
• Macro for phasing a spectrum by a reference spectrum (PhasebyFile);
• Automated and manual baseline correction over the whole spectrum or region of interest;
• Automated and manual peak picking;
• Automated and manual spectrum integration;
• Automated and manual referencing
  • 'Automated' includes TMS and solvent peak(s) detection in ¹H and ¹³C spectra, and
  • 'Manual' includes a list of references and solvents for ¹H, ¹³C, ¹⁹F, ³¹P spectra referencing; the list can be extended with custom references for all nuclei;
• Construction of a table of multiplets and coupling constants;
• Solvent suppression (filtering in the time or frequency domain);
• Various tools for editing spectral data;
• Addition or subtraction of two spectra;
• Ability to attach a chemical structure(s) to a spectrum;
• Mouse-click assignment of single peaks, multiplets, and spectral regions to atoms in a structure(s);
• Text annotation of peak(s) or region(s) of interest in a spectrum;
• Quantitative analysis for series of spectra (Quanalyst) with results graphed;
• Put impurities signals and artifacts into Dark Regions to be ignored during all analyses;
• Standard and Intelligent bucketing procedures for metabonomics applications;
• Fit peaks by a number of analytical functions;
• Calculate the Signal-to-Noise ratio for any peak;
• Store processed spectra along with complete analysis information (structure(s), table of peaks, table of assignments, table of annotations, table of multiplets, coupling constants, and audit trail) in the .ESP file; and
• Preparation of high quality reports including spectra, structures, annotations, and tables using full integration with ACD/ChemSketch.