AIST Software announces advanced scientific software for chromatographic peak analysis

Five years in development from PeakFit’s original author

Breakthroughs in Chromatographic Peak Modeling

The new PFChrom v5 software will fit real world chromatographic peaks to unprecedented accuracy, to as low as 1 ppm unaccounted variance. For the first time, this allows the the higher moments of chromatographic peaks to be modeled. The program has all new models which were developed to fit every aspect of the theoretical and real-world components of all types of chromatographic peaks. The program relies on heretofore unpublished once-generalized and twice-generalized models to fit every type of chromatographic peak shape. Using the full power of modern computers, using every core and thread on your machine, you can simultaneously fit up to 25 data sets.

Breakthroughs in Peak Fitting Technology

The new PFChrom fitting engine will automatically employ dozens or even hundreds of separate specialty fits to produce an optimal single final fit. Convolution integrals, necessary to model instrumental effects, are managed with exceptional speed and computational performance. Small magnitude peaks are fit with the same accuracy as the large ones, an innovation which is also built-in to the new fitting technology. A new segment fit, illustrated in the above graph, allows multiple sections of peak data to independently share parameters. Fitting overlapping and hidden peaks has never been easier or more automated.

Breakthroughs in Fourier Deconvolution and IRF Estimation

PFChrom offers state of the art deconvolution of instrument response functions, including IRF models which have proven to accurately describe real-world chromatographic instrument and system distortions. The technology includes an advanced genetic algorithm for directly estimating an IRF directly from the Fourier deconvolution and a method for unwinding HPLC gradients. In the above graphs, the IRFs for a peak in nine different data sets have been estimated and removed using this genetic algorithm.

Breakthroughs in Chromatographic Visualization and Analysis

PFChrom v5 will deconvolve an instrument’s chromatographic peaks removing the instrument and system effects and the non-idealities in both diffusion and kinetics based models to tell you far more about the chromatographic separation as well as the health of the instrument, column, and system prep. Information that you could never begin begin to get from conventional instrument analysis is at your fingertips. As a research tool, PFChrom offers visualization of raw data and experiments which you will find invaluable and well beyond the present state of the art. In the above visualization, the same peak is seen at different concentrations and additive levels.

Breakthroughs in HPLC Gradient Peak Modeling

PFChrom includes new technology for fitting HPLC gradient peaks. These innovations allow the strength of the gradient to be estimated when fitting these peaks. PFChrom v5 offers a first, the fitting of Fourier deconvolution models which estimate the gradient in a single step, fitting the equivalent of ‘unwound’ gradient data as shown in the Fourier convolution above. The blue curve, the compressed gradient data, is fit as the yellow curve, the peak shapes that would elute if no gradient existed, is estimated.

Breakthroughs in Preparative Peak Modeling

PFChrom also includes original and heretofore unpublished models which can effectively fit preparative peaks and estimate the measure of column overload. The fitting of these models allows both the IRF, the instrument response function, and the overload, to be fitted and deconvolved, producing the peak that would have been generated had the instrument and column been capable of managing the concentration. In the example above, four different levels of overload are accurately modeled and the true peaks, the green curves above, are estimated.

The most significant advance in chromatographic peak modeling in decades…

PFChrom is a massive rewrite of the software that first offered scientists and researchers state of the art peak fitting and analysis. Written by the original author of PeakFit, the first software application to furnish chromatographic nonlinear peak modeling, PFChrom has a foundation second to none.

You can use the following links to see the full set of tutorials and the full online documentation for the software.

If you are a current PeakFit user, or have used PeakFit in the past, click here to see the new technologies in PFChrom.

Free Trial!

A 30-day free trial is available to evaluate PFChrom. We encourage you to use this trial evaluation before purchasing the product.