Use cases

Polymer analysis

Our MSPolyCalc tool can deconvolve high resolution mass spectra to identify its composition based on a provided list of monomers. The results are interactive and MSPolyCalc includes a customizable automatic report generation tool. This process, which previously took hours, now requires only a few seconds.

In the following example, our software was successful in identifying most of the signals in the spectrum of a copolymer (styrene + methylstyrene).

A report template was created and used to generate the following report in a few seconds. It presents the degree of polymerization of styrene compared to methylstyrene.

MSPolyCalc
MSPolyCalc
MSPolyCalc report
MSPolyCalc report
This application has been published here and can be tested outside our ELN using www.polycalc.org

Image analysis

A lot of segmentation and object classification tasks can be done with a workflow which includes grayscale conversion, smoothing, determination of a threshold to generate a mask, and identification of Regions Of Interest (ROIs). Those can then be characterised by various metrics, for example surface, symmetry, and direction.

By adjusting various parameters and based on our experience, we can quickly help you exploit this tool to its full potential for your applications.

Image analysis
Image analysis

Spectra analyses

Zakodium has created a set of tools that make it easy to process and compare hundreds of spectra. These tools work with different analysis types like NMR, IR, GC, Mass, etc. After selecting a data set, you will be able to do hierarchical clustering, reduce dimensions, classify, and generate reports.

In this example, we worked with the forensic police to process 100 infrared spectra of ecstasy pills. Our goal was to cluster the data and determine which pills were produced by the same laboratory.

PCA analysis on IR spectra of extasy pills
PCA analysis on IR spectra of extasy pills
This work has been published here: https://www.mdpi.com/2306-5729/5/4/116