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Analytical Chemistry Informatics

The Spectrus Difference Is in the Data

Your legacy IT systems (LIMS, ELN, SDMS, etc.) reduce rich analytical data to text and images that are difficult to search and reuse. This delays business-critical decisions.

Different types of data (LC/MS, GC/MS, NMR, Raman, IR, DSC, TGA, etc.) are scattered across individual instrument vendor software and CDSs. Data silos created by these incompatible file formats limit information flow within your company.

Scientists need access to data quickly, no matter where or how it was created. Analytical data generated by many scientists and instruments is challenging to find and navigate. How can scientists efficiently answer questions about product development, discovery, and quality when finding and matching up data is a project of its own?

Spectrus Relieves the Frustration of Managing Analytical Data So You Can…

  • Get a greater return on investment from your data generation
  • Make risk-making decisions from a single, reliable source of information
  • Centralize your data in one platform, where it can be standardized, archived, and shared

Spectrus Speaks the Language of Analytical Data

The Spectrus platform delivers expert software to handle all major analytical data types and vendor formats for chemical, biochemical, and pharmaceutical R&D.

  • Digitalize all analytical data for use across your organization

    Gather data from different vendors in one place and standardize it so scientists can easily compare information from multiple techniques and instruments.

  • Make data easier for researchers to find

    Store live analytical data with contextual metadata (researcher annotations, chemical structures, and chemical and instrumental metadata).

  • Make data available for scientists to collaborate easily and gain new insights

    Share interactive, instantly reusable (live) data, in data structures that connect all chemically relevant information, so scientists can find new insights.

  • Ensure data integrity

    Retain information from all steps, from raw data through processing and interpretation to the final decision. Provide permissions- or roles-based access so your document trail is always safe.

Spectrus Delivers
Live Data

  • Live data is interactive and rich
  • Live data is scientifically searchable
  • Live data is instantly reusable
  • Live data is FAIR

How We Do It

Spectrus natively supports >150 data formats through our partnerships with all major instrument vendors. (And the list keeps growing.) It also supports open data formats and standardization frameworks.
Analytical data is tied to chemical structure, providing the scientist with context for their interpretation and reuse.
Time-tested algorithms contribute chemical intelligence to help scientists make decisions.
Data in Spectrus is live—meaning that both raw and processed data can be reviewed, reused, and reprocessed within Spectrus clients.

Questions? We have answers

The Spectrus platform delivers expert software to handle all major analytical data types and vendor formats for chemical, biochemical, and pharmaceutical R&D.

Contact Us

Automate Analytical Workflows So Scientists Can Focus On Science

The Spectrus platform delivers expert software to handle all major analytical data types and vendor formats for chemical, biochemical, and pharmaceutical R&D.

Increase efficiency. Eliminate the need for scientists to organize and process data.
Save time. Take the manual work out of assembling data for decision-making and reporting.
Improve data consistency and normalization. For answers today and AI/ML use in the future.
Provide on-demand and remote access to analytical data.

Take Advantage of Automating Workflows in Your Organization

Spectrus Platform

Automate Data Marshalling & Normalize Analytical Data

Our technologies help aggregate analytical data from disparate labs, instruments, techniques, and vendors to a central location. Implement real-time source monitoring or data extraction at defined time intervals.

Metadata (scientific metadata, chemical/biochemical structures, instrument metadata, etc.) is associated to retain the context of each experiment.

Normalization of analytical data prepares it for data science studies (AI and ML applications).

Automate Analytical Data Processing & Delivery of Results

The chemically intelligent algorithms in Spectrus clients will process raw data, verify the analytical result, and notify the customer or create a report.

Integrate Spectrus into Your IT Landscape

Spectrus tools can be integrated into your existing informatics landscape. This provides an accessible, vendor agnostic repository for all your analytical data.

Make analytical data available to everyone, where and when they need it.