ACD/ChromManager
General Features
ACD/ChromManager is an intuitive data processing package combined with a powerful chromatography data management system. In addition to processing, ACD/ChromManager offers a framework for building your database. It gives you the opportunity to define your own fields and standardize data input.
ACD/ChromManager provides the following capabilities:
Processing
- Import chromatographic data from Waters Millennium32, Empower, and Empower 2; Dionex Chromeleon 6; PerkinElmer TotalChrom 6.1 and Turbochrom 4; Agilent ChemStation; NetCDF (AIA); and ASCII formats.
- Import LC/UV (PDA, DAD) records associated with chromatography data from Agilent ChemStation, Waters MassLynx, Waters Empower, and Dionex Chromeleon 6.
- Perform peak picking, smoothing, baseline correction, peak integration, and peak deconvolution on single chromatograms.
- Perform peak picking and baseline correction for LC/UV datasets.
- Import (export) structures from (to) an SDfile. The files can contain compound names and retention times.
- Manually assign chemical structures to peaks on your chromatogram via ACD/ChemSketch or from the table of peaks.
- Automatically assign chemical structures from an SDfile to labeled chromatogram peaks.
- Attach multiple structures to a co-eluting peak.
- Generate names from structures or structures from names using ACD/ChemSketch.
- Customize chromatographic data, user data, and user notes for your chromatographic document, as well as the color of chromatogram(s), style of peak labels, contents of the informative tables, and more.
- Automate standard processing steps with a macro program.
- Record all processing actions into the Audit Trail; transfer the Audit Trail to create a macro program to apply to subsequent data sets.
- Display a series of chromatograms on a single plot with structures, peak data, and annotations.
- Export chromatographic data to ACD/Labs Spectrum, NetCDF, and ASCII formats.
Databasing
- Create your own chromatographic application databases.
- Search databases by chromatographic parameters, peak information,
method parameters, chemical structure, chemical substructure
fragments, and user-defined data.
- View and search experimental data from ACD/Chromatography
Applications Database. This database includes
more than 8100 real-life applications covering HPLC, GC,
and CE methods with new separations continuously being
added. Each application is provided with chromatographic
parameters, column parameters, solvent and buffer information,
chemical structure assignments, and reference sources.
The database is fully searchable.
- View database records separately, as table, in tile view,
or as a custom layout.
- Search by structural similarity when retrieving stored chromatographic
applications.
- Search by "remembering" results of different searches,
and then intersecting, merging, or subtracting the result sets
from each other.
- Search through multiple databases simultaneously.
- Customize user data input, and view the records in the most
comfortable screen layout.
- Apply a bi-level password for viewing and modifying.
Reporting
- Produce professional reports with one chromatogram or a series,
structure assignments, method parameters, peak tables, annotations,
and more.
- Add the table of structures containing chemical structures
and peak data to your reports.
- Create custom templates with your company logo for unified
appearance of reports.
- Create reports as Adobe PDF files.
- Print reports according to the built-in or customized templates.
- Transfer reports to other applications, such as Microsoft
Word.
Integration with Other ACD/Labs Products
- Chiral applications databases are now available for HPLC,
GC, and CE. ChirBase, ChirBase/GC, and ChirBase/CE for ACD/Labs
databases can help you find a starting point for your chiral
separations quickly and easily.
- ACD/ChromManager is part of the ACD/SpecManager family. You
can store all of your chromatographic and spectral data (MS,
NMR, IR, UV-Vis, etc) together in one database and
view/retrieve data within one interface. You can also attach
spectra directly to chromatographic peaks, allowing you easily
organize your results. See an example here.
- Use the Chromatographic
Smart Search feature which enables separation scientists
to predict retention times for new compounds based on the
similarity search results and prediction equations stored
within your chromatographic database (e.g., ACD/Chromatography
Applications Database supplied with ACD/ChromManager). Only
available within complete ACD/Method
Development Suite.
- ACD/ChromManager allows push-button transfer of structures,
chromatograms, and chromatographic parameters to ACD/LC Simulator
or ACD/GC Simulator for fast and easy chromatographic method
development.
- ACD/ChromManager is integrated with ACD/LogP DB.
Transfer experimental data (chromatogram) into the ACD/LogP DB
training database, transforming retention time data into logP/logD values.
- ACD/ChromManager databases can be viewed through the browser-based
ACD/Web Librarian interface to enable broad, controlled access
to the data for various project teams within the organization.
- Also available for Oracle client-server architecture. ACD/ChromManager
Enterprise offers two modes: "Flat" (works like the
usual ChromManager) and "SQL" (works with a remote
database). The Database Administrator can set access privileges
for multiple individual users: Read-Only (for browsing and
searching) and Read-Write (for database updates). RDBMS Oracle
7 or Oracle 8 can be used as the database server.
- Allows ISIS integration.
ACD/ChromManager includes :
ACD/ChromManager Add-ons:
ChirBase databases of chiral separations are available in ACD/ChromManager
format.
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