Allows the resolution of mixture data into pure component spectra and concentration plots, without requiring prior information about the mixture's composition
Advanced Chemistry Development (ACD/Labs) has licensed mixture analysis algorithm Simplisma from Eastman-Kodak, released as a part of ACD/UV-IR Manager version 7.0.
The Simplisma approach provides a tool for multivariate analysis of mixtures, and allows the resolution of mixture data into pure component spectra and concentration plots, without requiring prior information about the mixture's composition.
This powerful technique is highly interactive, enabling the user of Simplisma to maintain control over the entire process whether the data type is UV-vis, NIR, IR or Raman.
The algorithm was developed by Willem Windig, one of the inventors of the sophisticated Coda and CompareLCMS chemometric algorithms presently available in ACD/MS Manager. "Our licensing of Simplisma extends our offering of innovative chemometric applications produced by Eastman-Kodak, which continues to produce solutions for the benefit of spectroscopy and chromatography," comments Antony Williams, VP of scientific development and marketing.
Simplisma is fully integrated with ACD/UV-IR Manager, allowing users to manipulate and manage optical spectra of different types.
ACD/UV-IR Manager is composed of three tightly integrated industry-leading modules for universal analytical data processing, storing chemical data in a database, and for chemical drawing and reporting. "UV-IR manager will be the first commercially available application providing access to the Simplisma application and will certainly benefit spectroscopists who are challenged with mixture analysis," Williams also stated.
