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Optical Spectroscopy, Solid State Analysis, and Other Analytical Methods

Use one software environment to process, interpret, and store all your analytical data.

Multi-Technique Spectroscopic Analysis and Data Management

ACD/Labs offers data processing and management solutions for a wide range of analytical spectroscopies, thermal analysis techniques, and X-ray data. This includes handling ultraviolet (UV), visible, infra-red (IR), Raman, along with thermal analysis (DSC, DTA, TGA) and rheological (DMA) data types, as well as some x-ray powder diffraction and x-ray fluorescence data.

Consolidate multi-technique analytical data with our easy-to-use vendor-neutral software and solve your data management challenges in one platform.

Analyzing materials is a challenging task, whether it is identifying impurities, elucidating the structure of forensic, novel, or unknown compounds, or comparing formulations and origins of samples. When determining what composition or specific molecular structures are present in a substance, analytical chemists need to bring together data from various instruments and techniques such as MS, NMR, FT-IR, and Raman spectroscopy.

Unfortunately, it can be challenging for analysts to correlate results from multiple data types to solve complex problems because results are often in incompatible formats. This makes it frustrating and time-consuming to manage your results.

Simplify your structure identification workflows by consolidating your analytical data in a single chemically intelligent application. Our multi-technique analytical data processing and interpretation tools allow you to do more with your data.

  • Quickly and easily verify spectra against a range of commercial libraries available for screening through ACD/Labs software
  • Process, assemble and manage your LC/UV, LC/MS, GC/MS, NMR, UV, IR, Raman, DSC/TGA, XRPD data, and more in one application
  • Include chemical structures or assigned functional groups with your data
  • Create professional reports with all your analytical data

We provide technique-specific capabilities to those working with Raman; near, far, and mid-IR; UV-Vis; and other optical techniques. Our vendor-neutral tools allow you to process and interpret data from most common instruments. We support a variety of optical techniques, including:

  • Absorption
  • Reflectance
  • Fluorescence
  • Phosphorescence spectra
  • Circular dichroism (CD)
  • Spectroscopic ellipsometry

Polymer science relies on specialized techniques to analyze materials. IR and Raman analysis is used to monitor reactions, assure quality, find impurities, and characterize formulations. Thermal analysis (such as TGA and DSC) and rheological data (such as creep and viscosity) are also used to characterize polymers. Managing all these incompatible data formats is time-consuming and frustrating, and it slows down your research.

Stop wasting time juggling files. Our software allows you to process, manage, and store all your analytical data in one intuitive interface.

  • Advanced processing and interpretation tools
  • Build complete libraries of polymer information
  • Search in-house spectral libraries, or commercial libraries
  • Resolve the components in complex polymer mixtures
  • Work with all your data in one interface, including NMR, MS, FT-IR, Raman, TGA, DSC, and rheology information

Solid-state chemical analysis, including drug product stability and mineral composition testing, requires specialized methods. Our vendor-neutral processing tools allow you to assemble, view and interpret analytical data from a range of instruments and techniques.

Applications for our software tools include:

  • Revealing chemical transitions, stability, and reactions using data from thermal analysis techniques including thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and differential thermal analysis (DTA)
  • Analyzing materials such as metals and coatings with Raman spectroscopy and electron energy loss spectroscopy
  • Characterizing, comparing, and classifying the microcrystalline structure of drug products or mineral samples with X-ray powder diffraction (XRPD)

High-quality data only retains its value if it is properly stored for retrieval and reviewing. Effective databasing allows you to build in-house data libraries, improve regulatory compliance, reduce duplication of experiments, and put data science projects in place.

We have been helping organizations standardize, process, and manage their analytical data for more than 25 years. Gathering your data in software designed for analytical and chemical knowledge management means you will:

  • Centralize all your analytical data in one location for simplified search and storage
  • Work with reusable analytical data, not just abstracted peak tables, or pictures of chromatograms in poor resolution PDFs
  • Share data easily within your lab/department or throughout your organization
  • Standardize your analytical data to allow for effective machine learning and AI-powered data science projects
Customer Reviews
“In the short time I played with the IR tools I was able to get more out of the data than with the original instrument vendor software.”

Matthew Jones