ACD/Spectrus Processor—NMR Capabilities
ACD/Spectrus Processor is a multi-technique analytical data processing and interpretation application that provides a number of NMR-specific capabilities.
Processing & Interpretation
- Handle 1D and 2D NMR data (from experiments such as COSY, HETCOR, TOCSY and HMQC/HMBC/HSQC) for 1H, 13C, 15N, 19F, 31P nuclei
- Carry out basic spectral manipulations such as Fourier Transform, weighting functions, manual and automated phase correction, baseline correction, and calibration
- Support for import of FID and FT data from all major spectrometer vendor formats including Bruker, Varian, and JEOL (see the full list below)
- Automatically create multiplet reports
- Get help with spectral interpretations from real-time feedback on which atoms in a structure should be assigned to a multiplet
- Automate routine workflows for pre-processing upon data import
Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click. Simply drag-and-drop, or copy and paste, a chemical structure for immediate feedback.
Structure verification using NMR data can be further enhanced with NMR predictors.
Spectral Library Searching
Spectrus Processor provides powerful search and view access to analytical databases. Records are searchable by a variety of structural, spectral and text-based parameters,
and search results are overlaid on the query spectrum with color highlighting of matching signals for easy interpretation. For in-house databases, Spectrus Processor offers
corporate knowledge-sharing by extending these capabilities with the ability to re-process and re-interpret the data to help answer new questions.
Third-party NMR databases such as the Aldrich NMR Library and
Specs NMR Library can be combined with Spectrus Processor for comprehensive searches.
Supported File Formats
Techniques Included in ACD/Spectrus Processor