ACD/Labs Spectrus Workbooks
The New Generation of Analytical Chemistry Interpretation Software
Spectrus Workbooks are a portfolio of technique-specific software for spectroscopists, spectrometrists, and separations scientists that provide advanced data processing,
interpretation and information management. This new generation of expert tools builds upon almost two decades of experience developing applications and algorithms for
analytical chemists.
Spectrus Workbooks bring together a unique and powerful set of features, including:
Advanced Processing and Interpretation at Your Desktop (click here to expand all sections)
Our continuing collaborations with major instrument vendors mean that we support the majority of file formats for
all major instruments and techniques. Scientists have the freedom to process and analyze data away from the instrument, at their desktop, in one consistent software
environment.
Each Workbook provides technique-specific algorithms for advanced processing and interpretation of data. Some of the acclaimed technologies include:
- IntelliXtract—which aids the extraction of all components from MS data of mixtures
- SIMPLISMA—a multi-variate curve-resolving algorithm that aids the extraction of pure component spectra for optical data
- NMRSync—which synchronizes peak-picking and assignment procedures throughout a collection of NMR
experiments associated with one sample
Chemical Intelligence in the Treatment of Analytical Data
ACD/Labs' analytical software uniquely includes chemical comprehension at its foundation so you can quickly extract chemically relevant
answers. Thereby making resulting knowledge easy to retain, share, find, and reuse, for better decision making.
The foundation for the chemical intelligence in Workbooks is built on our unprecedented ability to truly integrate chemical structures with analytical data.
The ability to fully handle chemical ambiguity with Markush structures; to automatically evaluate and associate atoms in a chemical structure with their 1D and
2D NMR measurements; along with compound fragmentation and Auto Assignment in MS; are just a few examples of innovative scientific algorithms that are available
in various Spectrus Workbooks.
Multi-technique Processing and Interpretation
All Spectrus Workbooks include ACD/Spectrus Processor, allowing you to process and interpret analytical data for all techniques (NMR, LC/UV/MS, IR, Raman, and more)
with support of data formats from all major instrument vendors.
A Project Environment to Organize All Study-Related Information
All study-related information can be organized in one place for each individual or team. Connected in a chemically relevant way,
analytical, chromatographic and chemical information can be displayed, reviewed and studied as a whole. This helps to facilitate the decision-making process for the
current project, and also provides a collaborative science environment for your organization. Concurrent and future projects can benefit from knowledge gained by
colleagues in a related study to speed research.
Knowledge Management and Sharing for Collaborative Science
Capturing the relationship between analytical data, chemical structure, and the scientist’s decision making in electronic form
represents the core of Spectrus Workbooks. Store, search and retrieve annotated and interpreted analytical data easily using the database read and write
capabilities Workbooks provide. As part of Spectrus chemical and analytical knowledge management, the Workbooks surpass traditional data storage and access
limitations to enable thorough knowledge-sharing within laboratories, departments, throughout and even between organizations, both today and for future problems and projects.
ACD/Labs Spectrus Workbooks—the most comprehensive software for advanced analytical chemistry interpretation.
ACD/Spectrus Workbook is comprised of the following products, which are also available individually:
