Automated Homogenization of Disparate Analytical Data

Gain higher productivity, data integrity, and security with unified data management

Typically organizations are faced with a variety of analytical instruments from disparate hardware vendors resulting in heterogeneous software to process and analyze data, problems with data access and control, and silos of databases. This issue is compounded with international outsourcing and collaboration.

Increase data security, reduce the cost of support for heterogeneous systems, and establish a designed approach to spectroscopic and chromatographic data management so that results from one experiment can benefit scientists throughout your organization now and in the future.

A Single, Unified File Format for Analytical Data

ACD/Labs uniquely provides one file format for analytical instrument data through long-standing collaborations with hardware vendors. We are committed to expanding data file format support, and integrating with a standard file format if/when established.

Automated Data Collection and File Conversion

ACD/Labs' automated solution for homogenizing disparate analytical data into the unified Spectrus environment is the first step to realizing the benefits of searchable, re-useable, comprehensive chemical and analytical data in support of higher productivity and efficiency through collaborative science.


  • Automated data handling from the instrument, with meta data and chemical structures when available, to the knowledgebase. Supported data includes NMR, LCUVMS, GCMS, MS, UV, IR, RAMAN, XPRD, TGA, and other techniques
  • Basic pre-processing of raw data
  • Electronic signature and audit trail
  • Transfer of the data into ACD/Spectrus DB (Oracle or Postgre SQL)

Optional Capabilities

  • ACD/Labs' unified analytical data format can also be stored inside an ELN or a LIMS
  • Additional custom processing and reporting capabilities such as purity and concentration, automated multi-technique reporting, etc., can be added as per a customer's needs
  • Integration of chemical structure and structure confirmation/verifications (including automated structure verification) is available
  • Transfer of the raw data to a dedicated location for archiving purposes


  • Data Integrity & Security—minimize exposure to raw data and increase data security through automation.
  • Higher Productivity
    • In Open-Access Chemistry
      • Provide chemists with interpretation-ready spectra
      • Save time in routine processing, streamline data access, and create a standardized process for data handling
    • For Expert Analysts—reduce tedious, routine tasks. This solution is an integrated component of a comprehensive ACD/Spectrus solution used broadly by spectroscopists and spectrometrists
  • IP Protection
    • Audit trail with date and time stamps
    • Proof of work for patents
    • Regulated access to raw data on instruments to safeguard project security
  • Data Integration and Exchange
    • Share data between project teams, sites, and departments facilitating collaboration and innovation

Unify analytical information in a single file format, with an automated solution for data collection from banks of instruments for more efficient, collaborative science.