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Comprehensive Chemometric Data
Modeling for Spectroscopists
Multivariate data analysis methods have
become common tools 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 approaches to quickly
analyzing complex samples from their
spectral signatures.
GRAMS IQ - Powerful Tools for Easy
Model-Building
Creating robust chemometric models generally requires trying out many different approaches to working up the data. GRAMS
IQ is designed to make this process as simple
as possible for both qualitative and quantitative models. GRAMS IQ provides the user
with the tools to create, maintain, and extend
chemometric data sets. Spectral fi les can be
quickly added - including foreign formats using
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user to enter custom information about each
sample, if desired. Unique tools allow the user
to create multiple combinations of modeling
conditions to investigate as a series of separate
“experiments”. Relationships between these
experiments are recorded and displayed for the
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Compare performance of different calibrations using qualitative selection criteria to choose the optimal calibration for the sample being analyzed
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