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 PF Chrom 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 The program relies on heretofore unpublished once-generalized and twice-generalized models to fit every type of chromatographic peak shape.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 PF Chrom fitting engine will automatically employ dozens or even hundreds of separate specialty fits to product 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
PF Chrom 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 has been estimated and removed using this genetic algorithm.
Breakthroughs in Chromatographic Analysis
PF Chrom v5 will deconvolve an instrument’s chromatographic peak 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, PF Chrom 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
PF Chrom includes new research in fitting HPLC gradient peaks, which allows the strength of the gradient to be estimated when fitting these peaks. PF Chrom v5 offers a first, the fitting of Fourier deconvolution models which estimate the gradient in a single step fitting, 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 across each peak’s elution.
Breakthroughs in Preparative Peak Modeling
PF Chrom 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…
A massive rewrite of the program 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 peak modeling, PF Chrom 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.
30-Day Free Trial!
- Windows 10 or Windows Server 2016 or higher (64-bit only)
- English language
- HD graphics (1920×1080) or higher
- Internet connection for online help and license validation
- 8 Gb memory or higher recommended
- CPU 4-core or higher recommended*
- 4K and/or multiple HD monitors supported**
No credit card information is collected When you request a Trial evaluation. The information you provide will be kept strictly private and will not be in any manner shared with or disclosed to any other party. You must minimally enter your name and email in the form that appears after you click the link above. The 30-Day license key and download link will be emailed to you at the address you provide.
*Fitting the IRF convolution integral models will use all cores (hyperthreads) on a machine and may run at close to 100% CPU utilization for some minutes. This kind of processing is not recommended for light-duty consumer-grade laptops.
**For simultaneously fitting more than four data sets. multiple HD monitors are recommended. For simultaneously fitting 12 or more data sets, a large 4K monitor is recommended.