This article is organized by China Science Software Network
GRAMS Spectral Analysis Software
Thermo Fisher Scientific's data processing and data management software package handles data files from a variety of technologies including UV, UV/Vis, Infrared, Fourier Infrared, Near Infrared, Nuclear Magnetic Resonance, Liquid Chromatography, Gas Chromatography, and High Performance Liquid Phase Chromatography, DAS, CE, mass spectrometry and Raman.
Thermo Fisher Scientific also offers over 60 specific spectral libraries covering most of the spectral information for mid-infrared, near-infrared and Raman data. GRAMS technology enables the conversion of data formats from more than 150 instruments into a third-party XML format.
The GRAMS Suite provides a wide range of collection tools to meet the needs of scientists engaged in spectral analysis. The GRAMS Suite includes a complementary, fully functional spectral data processing and analysis application, and GRAMS/AI is its core module.
Using the unique SmartConvert technology, all GRAMS Suite applications are compatible with data files from hundreds of other instrument control applications, including Agilent/HP, Beckman, Bio-Rad, Bruker, Gilson, Hitachi, PerkinElmer, Shimadzu, Varian , Waters/Micromass. At the same time, GRAMS Suite also supports many versatile data formats such as SPC, ASCII, JCAMP, and AnDI/NetCDF. For data storage, the GRAMS Suite leverages the popular SPC file format to allow scientists and colleagues to share data on their computers without taking up valuable instrumentation platforms.
GRAMS/AI
GRAMS/AI is the core application of the GRAMS Suite, a comprehensive software package for data processing, data visualization and data report generation. It has advanced data processing, data comparison and visualization capabilities, as well as processing data from any analytical instrument data station. This feature has incorporated industry standards into scientific software.
GRAMS/AI application
Spectral Number - Comprehensive Spectral Characteristic Pattern Matching
Spectral Database - Data Management Tools for Collecting Spectra
GRAMS/3D - Multidimensional Data Set Instant Visual System
PLSplus/IQ and IQ Forecast - Create and configure metric calibration
Spectral DB - now a GRAMS/AI bonus module
Keeping track of samples and experiments becomes increasingly difficult as scientists deal with ever-increasing amounts of instrumental data. Researchers often find that the amount of data that needs to be processed has greatly exceeded the amount of data they can manage effectively. Spectral DB provides a data management tool that can be upgraded from the desktop version to the enterprise version of tissue spectroscopy and chromatographic data into a simple, searchable database. Spectral DB supports Oracle, MS SQL Server and Access database formats.
Spectral ID®
Spectral pattern matching or "library searching" is one of the most effective methods for qualitative verification of compounds. Spectral ID is currently the most widely used search software.
GRAMS/3D®
Unlike static 3D drawing, GRAMS/3D is a real-time, real-time visualization software application that provides scientists with an interactive tool to view all the information in a cube, such as: GC-IR, LC-PDA, multidimensional spectrum (multidimensional spectroscopy), 2D-NMR, 2D-IR, or spectroscopic mapping experiments.
GRAMS IQ and IQ Predict
Multivariate analysis has become a routine tool for the application of modern spectroscopic instruments for qualitative and quantitative analysis. Chemometric techniques such as PLS, PCR, PCA and discriminant analysis have become the standard way to quickly analyze complex samples, all of which come from their own spectral signatures. The excellent GRAMS IQ chemometric software extends the capabilities of the GRAMS/AI module to make instructions easier to implement and has a step-by-step graphical user interface for creating and deploying stoichiometric calibration models for laboratories and production lines. The stand-alone IQ Predict module enables GRAMS IQ calibration in "predict only" mode for multiple GRAMS/AI users. GRAMS IQ maintains compatibility with PLSPlus/IQ data files.
QuickQuant
Multivariate calibration methods such as PLS are often too complex and redundant when dealing with relatively simple samples. The GRAMS/AI QuickQuant module provides a simple least squares regression spectral data calibration method.
ExcelExchange
The ExcelExchange module allows precise data transfer prior to GRAMS/AI spectral data files and Microsoft Excel worksheets.
GRAMS Convert
GRAMS convert intelligently detects multiple directories and converts known file formats into industry-standard GRAMS .SPC format.
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