ACD/SpecManager

Version 5.0 to 6.0

New Visualization Options

• Now there are three database display modes: One Record, Tile, and Table views. Table view features include:
  • Sort table data by any column,
  • Create reports in Table mode,
  • View mini spectra in Table mode cell, and
  • Export data to SDfile;
• Display LC/MS, GC/MS, spectral series, and 2D NMR and diode array detectors (DAD) data sets in 3D View mode:
  • Perspectives (Zoom, Rotate, Change distance),
  • Surface Types (Contour, Wireframe, Solid Colors, Series), and
  • Select slices;
• Automatically factor out and display common factor for x- or y-axis data for effortlessness scale reading or display conventionally;
• Independently display (or hide) labels, annotations, and assignments; and
• Return to previously zoomed regions with Zoom history.

General Capabilities

• Open multiple files or series concurrently;
• Easily re-import original data from NuGenesis archive to ACD software;
• Many new options are provided to manage the Spectrum User Data:
  • The fields can be renamed, reordered, added, or deleted,
  • Data Forms Manager allows you to create customized dialog boxes (Data Forms) to facilitate User Data input,
  • User-designed forms are stored in the local forms library, and
  • User Data can be exported or imported to/from textual files;
• Run ChemBasic routines through the macro commands to allow greater customization of macro processing tasks;
• Common display preferences have been organized into one convenient dialog box;
• Right-clicking spectrum display can turn on the Zoom (traditional) or provide a context sensitive pop up menu for the active processing mode;
• Attach and store Markush, polymer, and isotopic structures (non-processable except for isotopic labels in MS Processor);
• Improved Report page is now more easily adjustable to meet corporate standards:
  • Custom user template reports, and
  • Simple or Template reports can be copied to ChemSketch, printed, or exported to PDF with macro or user interface;
• Store report to standard PDF file format with "ExportReportToPDF" macro command; and
• Electronic signature capability with document integrity safeguards in accordance with the requirements of the FDA 21 CFR part 11 rules.

SpecDB Databasing Module

New Database Management Options

• Lay out the database windowpanes according to your preference, and save customized layout setting.
• Apply an Electronic signature to database record with document integrity safeguards.
• Chemical structures in user database records now can include Markush bonds, polymers, fragments abbreviations, isotopic, valency, radical charges, and 3D coordinates information.

New Search Options

• Search the database for similar structures to the one you have drawn with one of five different algorithms: Tanimoto, Dice, Cosine, Hamming distance, and Euclidean distance.
• Search with more precision for stereoisomeric structures with the addition of new stereo search options.
• Structure and substructure search queries now can include Markush bonds, polymers, fragments abbreviations, isotopic, valency and radical charges information.
• Easier selection of multiple databases for search through checkboxes.

Plate Coloration

• Color plate wells according to the Match Factor, RMS of Assignment, Structure Purity, or any other user defined parameters.

Additional Mode to Display Database Records

• View your databases in new display mode: Table view. New mode allows you to
  • Sort table data by any column;
  • Create reports in Table form;
  • View mini spectra in Table mode cell;
  • Export data to SDfile and textual files compatible with MS Excel; and
  • Navigate with ease between record entries.