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GRAMS/AI version 9.3

GRAMS/AI is a comprehensive data processing, visualization and reporting package that forms the core of GRAMS spectroscopy software. Its advanced processing procedures, data comparison and visualization capabilities and the ability to process data from almost all analytical instruments have established industry standards in scientific software.

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Below you can read a little more about what each module for GRAMS/AI contains.

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Grams IQ

GRAMS IQ is a graphical multivariate analysis tool to determine quantitative calibration and qualitative models for discriminant analysis. In fact, qualitative and quantitative methods can be linked together to provide a complete spectral model of the sample. For analysts who want to use stoichiometric calibration in laboratories and production lines, this software product is a complete solution.


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Grams Envision

A new tool included with GRAMS, Envision is a multi-format Microsoft® .NET instrument data viewer with the capacity to host plug-in processing and reporting modules. Envision enhances GRAMS Smart Convert technology with more than 20 new instrument converters. It also offers support for the GAML open standard XML instrument data format. GAML allows capture of more comprehensive instrument meta-data and simplifies integration with LIMS, eLN and desktop applications. A run-time version of Inform, a drag-and-drop report designer, built to complement GRAMS Envision, is included as part of Envision.

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Spectral DB - Now included free of charge with GRAMS/AI

As researchers process more and more instrument data, it becomes increasingly difficult to track their samples and experiments. Researchers often find that the information they have is far beyond their effective management. Spectral DB is a data management tool that can be extended from a desktop computer to an arrangement of computers to organize spectra and chromatograms into a simple searchable database. Spectral DB supports Oracle, MS SQL Server and Access database formats.

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Spectral ID

Spectral matching or "library searching" is one of the most effective methods for qualitatively identifying associations. For this purpose, Spectral ID is the most comprehensive search software available. It is fast and easy to use and is compatible with MS, IR, Raman, UV-Vis, fluorescence and NIR data. Spectral ID supports all popular commercial libraries such as NIST, Wiley, etc. The software can automatically detect hundreds of different file formats and can link and share data with Thermo Scientific GRAMS / AI and Agilent's HP Chemstation software.

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Unlike static 3D plotting and rendering packages, GRAMS/3D is a real-time visualization program that provides researchers with an interactive tool to display all information in a multidimensional data set, such as GC-IR, LC-PDA, multidimensional spectroscopy, 2D-NMR, 2D -IR or spectral mapping experiments

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PLSplus/IQ – Spectroscopy Chemometrics Toolbox

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. Standalone GRAMS IQ extends GRAMS/AI’s capabilities with an easy to follow, step-by-step graphical user interface for creating and deploying chemometric calibration models for the laboratory and the production line. The separate IQ Predict module can be used to deploy GRAMS IQ calibrations in a “predict-only” mode to multiple GRAMS/AI users. GRAMS IQ maintains compatibility with PLSPlus/IQ data files.

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For relatively simple samples, multivariate calibration methods (such as PLS) are often too complicated and unnecessary. The GRAMS/AI OuickQuant module provides a simple regression calibration method for spectral data.


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The ExcelExchange module allows seamless data transfer between GRAMS/AI spectral data files and Microsoft Excel spreadsheets. Data can be easily transferred in two directions: from GRAMS data files to Excel spreadsheets, from spreadsheets to data files.