UCal Chemometric Software

UCal Chemometric Software

UCal™ is a Complete Chemometric Calibration Software Suite that contains advance tools for instrument matching, calibration transfer, population structuring, sample managment and calibration development. 

Calibration Transfer Tools

Calibration transfer and validation tools allow  NIR users to convert the libraries to UCal format, allowing complete re-use of the valuable calibration data.  The UCal software contains a powerful file conversion section that converts spectral data from multiple vendor instruments into the UCal format. This means that UCal can be used on multiple vendor platforms. Data can be imported to and exported from UCal using Unity .svf format, j-camp (.dx, .jdx), Grams (.spc), NIRSystems (.nir and .cal), and other formats.

Powerful Regression Tools

UCal provides a powerful, yet easy calibration development process for building the most accurate calibrations. With a single screen calibration interface, a compact file structure where a single calibration equation file is used for all constituents, and single push button operation, UCal makes creating calibrations easy. For quantitative calibrations, UCal supports optimised PLS (Partial Least Squares) chemometric models. Optimised PLS uses the Neighborhood Distance (ND) Principle to optimise and build databases using PLS instead of PCA (Principle Component Analysis) to organize and structure the database. With this principle, UCal includes a patented Condensing algorithm to remove unwanted redundancy from large databases. Properly structuring a database in this way will greatly improve the calibration’s accuracy. Because the Neighborhood Distance Principle relies on PLS mathematics, databases are optimized per constituent as opposed to other software packages that only focus on PCA, which doesn’t factor in constituent variation. This means that with UCal, each constituent will have its own sample distribution, leading to the best possible accuracy.

UCal includes standard math treatments such as absorbance, 1st through 4th derivatives with configurable gap and smoothing segments, SNV, Detrend, and more for developing accurate, stable calibrations. Math treatments can be customised for even greater flexibility. The Minimisation (MIN) File helps to minimise unwanted variation in the data due to sampling effects or instrument differences. UCal provides automatic outlier diagnostics with various selection criteria on T and GH statistics to eliminate bad samples and simplify the calibration process. UCal also provides an off-line prediction tool for predicting spectra against multiple calibrations. 

Training Options

A UCal training class is offered in our Johannesburg office. The course is 2 1/2 days and covers all aspects of NIR calibration development and validation. For more information please contact us at info@analyticalsolutions.co.za