E-WorkBook Suite for Analytical Chemistry
Delivering a comprehensive set of extensions that support the
day-to-day workflow of analytical chemistry, the E-WorkBook Suite
allows scientists to efficiently capture, store and search data
from a wide range of analytical instrumentation and software.
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The E-WorkBook Suite’s specialized tool set enables analytical
chemists to insert, annotate and query instrument data from many
different sources, providing the ability to:
• Capture, annotate and store instrument data
• Perform instrument calibrations and calibration checks
• Prepare and track standards and quality control data
• Connect directly to bench top instruments (pH meters, balances
etc.) to capture data
• Send and receive task requests
• Automate sign-off and experiment completion notification
• Create SOPs and experiment templates
• Search for historical data including chemical structures and
instrument data
• Support 21 CFR Part 11 and GxP compliance
E-WorkBook Suite for Analytical Chemistry
External Data Access The E-WorkBook Suite allows users to easily
access external applications such as LIMS, SDMS systems and other
analytical software tools, all from within an experiment, providing
rapid turnaround time on data acquisition and reducing
errors.
Unlike many LIMS systems, scientists can enter both qualitative and
quantitative observations as part of a single experiment record.
Once saved all the data (both qualitative and quantitative) is
searchable – including image annotations and Microsoft® Office
documents, as well as information such as peak intensity, peak
height and column conditions.
Fig 1: Search a wide range of data types and formats from
instrumentation and external applications
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Record Calibration Data Analytical scientists can also use the
E-WorkBook Suite to record instrument calibration data and create,
for example, an instrument log book that can help complete
experimental workflow when calibration information is required.
E-WorkBook can also capture information on the preparation of
quality controls and standards, allowing bench scientists to
determine, for example, when a batch or standard is out of date and
when to perform quality checks.
Many industry-standard file formats such as JCAMP and NetCDF can be
rendered directly in experiments, where the user can zoom in on and
annotate data. Experimental data can also be opened in external
software for modification and further analysis.
Rapid Searching The E-WorkBook Suite’s open framework provides
rapid data searching, decreasing the time required to find analyses
or syntheses performed previously by colleagues, examine reaction
schemes to determine possible impurities, or view instrumentation
records to ensure quality of analytical results.
In addition to ad hoc searching and reporting, users can also save
and re-use any search that can combine any of the following:
• Standard chemistry searching (SSS, exact, similarity, reaction
transformation, product/reactant, etc.) with full stereo and
tautomer support
• Reaction conditions (catalyst, temperature, pressure, etc.)
• Reaction measures (yield, purity, color, physical state,
etc.)
• Spectral data (instrument, analysis type, date of analysis,
etc.)
• Method information (text, phrases and keywords, etc.)
• Registration, pre-registration, batch and sample IDs
• Form data analysis requestor, quantitative and qualitative
results and observations
Fig 2: Render industry-standard file formats from within an
experiment
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