ACD/UV-IR Manager

Version 4.0 to 4.5

General Capabilities:

• Macro processing tools allow you to combine a number of standard spectrum treatments into one command that can be run by a single button click on the Macro toolbar. Multiple user macros are easy to manage by means of the Macro Organizer.
• Group Macro processing of thousands of spectral files allows you to populate user databases in the batch mode.
• History of changes is stored along with a spectrum in the file or database to provide full audit trailing.
• Improved format of the main data tables: Peaks, Assignments, Annotations and Spectra. Columns to show and the format of number display can be optionally adjusted. Tables are sorted by ascending/descending values in any column.
• Import spectra from more spectral formats: Bruker OPUS (*.*), Foss IR (*.da), Perkin-Elmer IR Data Manager (*.sp), JASCO Spectra Manager and J-700 (*.jws), Mattson Instruments (*.*), Agilent HP8452A UV-Vis (*.wav), Labcontrol Spectacle (*.uvd, irs).
• The list of supported formats can be extended by connecting any external file converter (e.g. GRAMS converter) with a new Register User Formats command. Registered external formats are imported/exported in background mode as if they are built-in ones.
• Import from JCAMP (*.dx, jdx), ASCII (*.txt, doc), Nicolet OMNIC(*.spg) and Galactic GRAMS (*.spc) is expended to read multi-spectral or 3D data files.
• Full JCAMP format compliance is stated. The Import/Export in the JCAMP is expanded to include Table of Peaks for IR and UV-Vis spectra.
• Improved Export ASCII dialog allows to adjust output file format.
• Auto-import of ACD/ASCII format (Import ASCII dialog does not appear).
• Improved Report for spectral series allows you to output curve numbers, color legend as well as all associated tables and structures in separate pages.
• Spectral window preferences are gathered into a multi-paged dialog including practically all the settings for spectrum presentation.
• New fields are added to Spectrum Parameters: Date Stamp, File Name, X Axis, Y Axis.
• Status Bar Settings. Any of Spectrum Parameters or User Data can be shown on the status bar.

• Set of tools for derivative spectroscopy allows calculation of the 1st, 2nd, 3rd or 4th spectral derivatives by Savitsky-Golay or Simple Difference algorithms. The derivative curve can be shown overlaid for analysis or permanently replace the raw spectrum.
• ATR (attenuated total reflectance) correction tool allows to remove the Absorbance dependence on the wavenumber in spectra run by ATR technique.
• Improved Cut-off Region tool provides the ability to edit boundaries of a region to be cut by dragging as well as in the dialog.
• Automatic spectral subtraction fits the subtraction factor to provide optimal subtraction of a component absorption from a spectrum of mixture.
• The ability to re-define spectrum Y units to any other supported type is added. In the previous version only Arbitrary Y were allowed to be changed.
• The capability to create and edit Y axis custom name to display along the spectrum Y scale. Names in languages other than English are supported as well.

• Peak Area and FWHH (full width at half-height) can be calculated and displayed for spectral peaks.
• Improved Assignment interface: CONTROL key works for adding multiple assignments to a single item (peak or structure fragment), SHIFT does adding of an assignment to any spectrum point that is not a peak.
• Improved Search Regions tool allows you to edit regions of search in a table as well as by dragging and keep set regions during the working session.
• Data Display Accuracy option is added to the Preferences. You can specify how many decimal places should be output in numeric spectrum labels.
• Improved Peak Picking includes more reliable algorithm of broad peaks detection. Also, it allows to pick negative peaks and ignore minor peaks/spikes making use of the Noise Factor option.
• Structure Verification command checks the correspondence between spectrum peaks and assigned structure on the basis of the built-in library of group wavenumbers.