ACD/Optical Workbook—Advanced Processing, Interpretation, and Knowledge-sharing tools for Optical Spectroscopy Techniques

Software for Scientists Working with UV, IR, Raman, and Other Optical Spectroscopy Techniques

The functionality of ACD/Optical Workbook has been migrated to ACD/ChemAnalytical Workbook as of ACD/Labs software release 2016.1. This product has been retired and will not receive any further updates. Technical support will continue for 3 years from the time of launch, as per our Software Life Cycle Policy.

For more information on migration/upgrade, please contact our Sales team:

ACD/Optical Workbook: Advanced Processing, Interpretation, and Knowledge-sharing tools for Optical Spectroscopy Techniques

ACD/Optical Workbook provides advanced processing, interpretation and knowledge-sharing tools for analytical chemists and specialists working with optical spectroscopy techniques. The application covers the entire optical spectroscopy range from 1 cm-1 to 100,000 cm-1 (100 to 10,000,000 nm) encompassing ultraviolet, visible, near-infrared, middle-infrared, far-infrared, and Raman techniques.

  • Apply expert processing algorithms to raw, and previously processed data
  • Extract answers from your data with advanced interpretation tools
  • Create and share live optical databases

Advanced Processing and Interpretation

Peak deconvolution Peak deconvolution

Resolve components and extract pure component spectra from mixturesResolve components and extract pure component spectra from mixtures

Find likely functional groups for an unknown infrared or Raman spectrumFind likely functional groups for an unknown infrared or Raman spectrum

Capture spectra/structure correlations Capture spectra/structure correlations

Cluster datasets, review and analyze results with multiple spectra overlayCluster datasets, review and analyze results with multiple spectra overlay

ACD/Optical Workbook Full List of Processing FeaturesFull List of Processing Features

Supported File Formats ACD/Optical Workbook Support File Formats

Knowledge Management—Create Databases of LIVE Spectra with Chemical Context

Capturing and sharing infrared and Raman spectroscopic knowledge is a serious challenge in most laboratories. Optical Workbook offers the unique capability for you to store and search live spectra for all supported optical techniques. Live spectra can be re-examined, re-processed, and re-interpreted to answer new questions, and are much more than an image or archived raw data file.

Workbooks allow you to capture the relationship between structure and spectra; and save assignments and the human interpretation of data. Spectra are, therefore, stored with their chemical context. Data from multiple experiments can be stored together allowing you to retain and reuse the knowledge acquired through each step of a process. Decisions made in a laboratory based on analytical experiments can be stored providing an invaluable resource. Furthermore, this knowledge can be easily shared with colleagues providing your organization with a resource to aid future research.

  • Share the specialist's interpretation of data to provide a better understanding of optical spectroscopy in your organization
  • Avoid duplication of effort
  • Provide a collaborative platform for scientific research and development

Database records can include multiple spectra, structures, text data, pictures, and links to reports or spreadsheets, and can be searched by a variety of structure, spectral, and text-based parameters.

The Coblentz IR databaseThe Coblentz IR database

ACD/Optical Workbook: Full List of Databasing FeaturesFull List of Databasing Features

Automation and Scripting

An array of capabilities for workflow automation and batch handling is part of the software, speeding up routine manual processing operations, automating migration of old data files, or populating spectral databases. Custom integration with other applications, such as LIMS, facilitates workflows and expands laboratory informatics systems with analytical chemistry capabilities. More on ACD/Labs Scripting and Automation ACD/Labs Scripting and Automation

Multi-Technique Data Handling

Optical Workbook also offers general processing tools for NMR, LC/UV/MS,IR, Raman, and other analytical techniques; support for most instrument vendor data formats; and assistance with chemical structure confirmation.

Process and analyze data from IR, Raman, UV and other optical techniques in an expert environment, and share knowledge more easily than ever before.