Multivariate data analysis methods are gaining widespread use in applying modern spectroscopic instruments to solve qualitative and quantitative analysis problems. Chemometric techniques such as PLS, PCR, PCA and discriminant analysis have become standard tools for quickly analyzing complex samples from their spectral signatures. Creating robust chemometric models typically requires trying out many different approaches to working up the data. Thermo Scientific™ GRAMS IQ™ Spectroscopy Software is designed to make this process as simple and straightforward as possible.
The GRAMS IQ application records the training sample information and lets users enter custom information as needed. Easy-to-use tools allow the creation of multiple combinations of modeling conditions—a series of separate "experiments" that completely define the model to be calculated.
With calculations performed, users view and plot all calculated data as well as a variety of diagnostic indicators stored in the experiments. Results of the various calibration approaches can be compared using built-in or user-defined data analysis plots. With the optimum conditions determined, users can save one or more calibrations to a file for use in prediction.
All calculated data and graphs export to a rich text document for quick and easy reports.Powerful Tools for Easy Model-Building