What's New in ACD/Spectrus Processor

Version 2012 to 2012.01 (Batch 55972)

Since its initial release in the Fall of 2011, a number of enhancements have been made to ACD/Spectrus Processor. Many of these improvements fulfill the requests of users, and will benefit our wider user-base. We are continually working to improve our software to facilitate your efforts in R&D.

General

  • Undock windows and adjust the screen layout across multiple monitors to suit your workflow. Manage and save screen layouts to save time.
    Undock windows and adjust the screen layout across multiple monitors to suit your workflow.
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  • Enlarge regions of interest in spectra and chromatograms reported to the ChemSketch window.
    Enlarge regions of interest in spectra and chromatograms reported to the ChemSketch window.
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  • Automatically set x-axis syncing for data of the same type upon import.
  • Ease of use improvements:
    • Convert the traditional mouse cursor into a vertical pointer for greater precision.
    • Use Report Setup to choose different pieces of information to be included into your standard report, by technique (does not include hyphenated MS data).

NMR–specific

  • Subtract multi-peak solvent signals from spectra.
    Subtract multi-peak solvent signals from spectra.
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  • Hide the numbering of unassigned atoms, and set correlations to be displayed on the structure.
    Hide the numbering of unassigned atoms. Set correlations to be displayed on the structure.
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  • Calculate spectra for structure(s) displayed in the Structure window (installation of NMR Predictors required)
  • Ease of use improvements:
    • Assign user-defined headings for columns in tables via the Table Options dialog box.
    • Improved visualization of the snap to grid tool.
    • Exclude diagonal peaks from the labeling process.
    • Help with structure assignment—track the number of assigned and unassigned carbon and proton atoms through the Spectral Data table.
    • Improved display—choose from a variety of attachment options for 1D spectra to be used as the projection in 2D NMR data.

MS-specific

  • Copy/paste manually assigned structural fragments into the Table of Fragments.
    Copy/paste manually assigned structural fragments into the Table of Fragments.
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  • Run ACD/MS Fragmenter directly from the Structure window (valid installation of MS Fragmenter required).

UV/IR-specific

  • Display functional group labels near the cursor when pointing to the relevant peak or spectral region.
    Display functional group labels near the cursor when pointing to the relevant peak or spectral region
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  • Assign fragments from the knowledgebase, even when no structure is proposed.
    Assign fragments from the knowledgebase, even when no structure is proposed.
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  • Vibration frequency is default for labeling of spectra. User may also choose to label by atom number or molecular formula.