Analytical Reports and Chemical Publication
Compile Analytical Reports
1D NMR
2D NMR
Chemisorption
DSC
EPR
Fluorescence
GC/MS
HPLC
IR
LC/DAD
LC/MS
Mass spectra
MS(n)
Physisorption
Porosimetry
Raman
TGA
UV/Vis/NIR
X-Ray
How many of the above analytical techniques do you use? ACD/Labs' analytical data management software is designed to bridge format, instrument, and location dependencies that are common in today's laboratory, and provide a common point of access to data needed to create a report. Would it be helpful if:
- all analytical data required for a report could be obtained from a single point of access regardless of instrument type, location, or brand?
- you could format and copy results like the spectrum, structure drawings, and peak and property tables directly into MS Word, Excel, PowerPoint, etc.?
- you had direct access to the original analysts' interpretation and insights via annotation layers, notes, comments, and processing history?
- you could instantaneously apply specific scientific journal formats to structures or multiplet reports through a style pick list?
- terminology variations that refer to the same thing could be reconciled automatically?
- you could find old reports on your hard drive through structure similarity searches?
- routine reports could be created automatically using a preset template?
Centralized Point of Access
Typically, the results you need for a report are spread across various locations, instruments, proprietary systems, data types, and formats in independent physical and electronic media types. Lanshire and Davies (Chemistry International 2006) indicate that the numbers of different formats in general use is increasing, with over 100 currently being in common use to store similar types of information. Combined with the ever increasing volume of data, locating the correct pieces of data from long running projects can take hours, if not days. It is therefore not surprising that scientists can easily spend much more time searching, reconciling data, standardizing taxonomy, organizing, and formatting data than actually writing their interpretations and findings into a report.
ACD/SpecManager helps to dramatically simplify compilation of reports by aggregating analytical data from different sources into one centralized software interface for the entire laboratory, creating a simpler, coherent environment for reporting. Centralized processing tools help prevent accidental omission of critical data in the report through data entry forms, offering convenient data entry prompters (pick lists, radio buttons, etc.). Further, errors due to manual data re-entry are eliminated by the fact that the software automatically imports pertinent data directly from the source. Data incoherence due to proprietary differences or alternative taxonomies in different data sources can be addressed through automated mapping tools.
Report Creation
Report templates can be applied in a semi-manual or fully automated report creation mode. Various built-in automation tools can be set to trigger report creation in ACD/Labs or Adobe PDF format, and are available to handle the more tedious tasks associated with reporting. Custom templates set to an organization-wide standard can combine any number of graphs or spectra from any analytical technique. This can help ensure that people in different departments are presenting information in a consistent way, avoiding miscommunications.
Elements of the report can be selectively copied to other software applications from the ACD/ChemSketch reporting interface. ACD/ChemSketch, an integral part of ACD/SpecManager, is a sophisticated report and chemical structure editor used in over 600 chemical and pharmaceutical companies and 650 academic institutions. Users can cut and paste spectra, chromatograms, chemical structures, and tables directly into Microsoft Word, and edit color, size, font, line width, and line style from within their documents.
Advanced Reporting Needs
Many of our customers use more advanced reporting capabilities associated with enterprise-wide solutions enabled by ACD/Web Librarian, ACD/Automation Server, and ACD/Workflow Manager. These incorporate and supplement the capabilities found in ACD/SpecManager in avoiding creating a reporting bottleneck at any stage of your R&D. For example, in routine processes, fully automated structure-NMR spectrum reports can be generated without human intervention if mismatches are detected.
Please review the relevant Application Notes and Demo Movies to learn more.
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