ACD/2D NMR Processor

What's New

NOTE: Please refer to What's New in ACD/1D NMR Processor as this product is included when purchasing ACD/2D NMR Processor.

Version 10.0 to 11.0

Processing, Analysis, and Interpretation

• New workflow for adding 1D curves
  • Easily attach 1D curves to 2D NMR spectra
• Automatic creation of gridlines when performing peak picking
  • Supported in both manual and automated peak picking routines
• Improved referencing for 2D NMR spectra
  • Click-and-drag referencing for 2D NMR spectra
  • Drag from the centre of a 2D NNMR correlation to line up with the 1D curve
  • Referencing in the 1D curve is retained
• View the Calculation Protocol (requires ACD/2D NMR Predictor)
  • Users can now view the NMR calculation protocol when a prediction or verification is run in the processing interface
  • This is a nice consulting tool that allows users to evaluate how many (and what types) of chemical structures were used to generate the predicted chemical shift.
• New additions to the status line
• More visible peak labels
  • Users now have the option to view peak labels without hovering over a correlation
• Choose location of multiplet labels
  • Users now have the option to choose whether peak labels appear over the centre of gravity, centre of area, or tallest peak of the area
• Label atoms in a chemical structure with assigned chemical shift values
  • Users can now choose to view the chemical shifts of assigned atoms on the chemical structure
• Structure menu was added to the main menu bar
  • To make it easier to find structure commands and functionality, a dedicated Structure menu was added on the menu bar
• Apply a macro equally across all selected files in the processor
  • Instead of a macro being applied to the active file only, you are now given a choice to apply a macro to all currently selected files in the processor window
• Easy access to recently viewed files
  • Displays a list of previously opened files
• Improved navigation
  • Where possible, dialog boxes were replaced to provide direct navigation and reduce the number of clicks required for a specific task
• Processor windows can now be re-ordered in full screen mode
  • Previously, multiplet windows could only be re-ordered in tile mode. Now, you can also change the ordering in full screen mode by dragging the tab of the appropriate window to its new position

Download a PDF copy of the expanded details on What's New with ACD/2D NMR Processor, or contact your Account Manager or Distributor.

Version 9.0 to 10.0

• Improvements in the automated peak picking algorithm.
  • Better recognition of peak artifacts
• New algorithm for automatic phase correction of 2D NMR spectra.
  • Phase correction of 2D spectra is now possible with the click of a button
• Structure Exchange Tool
  • Modify attached chemical structures without losing existing assignments.
• Axis-specific, visualized verification
  • Determine the level of correspondence of each assignment to the F1 and/or F2 axis exclusively.

Version 8.0 to 9.0

Processing (Features also available in ACD/2D NMR Manager)

• Extract any user data fields when importing raw data.
• Color-code 1D NMR slices when phasing 2D NMR spectra.
• Manually phase spectra with left-right or up-down mouse movements.
• Speed of linear prediction has increased (10-50 times faster).
• Apply indirect covariance conversion on processed 2D spectra.

Analysis (Features also available in ACD/2D NMR Manager)

• Perform advanced peak picking manually or automatically:
  • Color-code gridlines for easier visualization.
  • Snap-to-grid feature allows for a more rapid manual peak picking procedure.
  • Automatic procedure now accounts for the distance between multiplets and detects one central point, automatically clustering peaks that should be correlated together.
• Improved verification:
  • Automatic recognition and creation of color-coded 2J, 3J, and long range correlation arrows on verified structures.

Visualization

• Label spectra with color-coded multilayer annotations that can individually be toggled on and off.
• Display any data entry directly on the spectrum (i.e. spectrometer frequency, experiment type, ID number, analyst, etc.).
• Modify coupling correlation arrows to create vibrant correlation maps for reports and publications.
• Apply a new polychromatic color scheme to 2D NMR spectra that can be customized.