Spectral ID

Thermo Scientific™  Related applications: Lab Data Management and Analysis Software

Spectral pattern matching, or library searching, is a highly efficient and effective method for qualitative compound identification—and Thermo Scientific™ Spectral ID is the most comprehensive search tool available for multiple format IR and MS libraries.

Compatible with MS, IR, Raman, UV-Vis, fluorescence and NIR data, Spectral ID supports all popular commercial libraries, including Sigma-Aldrich™, Thermo Scientific™ Nicolet™, NIST™, Wiley and others. The software automatically recognizes hundreds of different file formats, and can link and share data with both Thermo Scientific™ GRAMS/AI™ and Agilent™/HP™ Chemstation software.

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Description

With full spectrum search speeds of more than 5000 compounds per second, the Spectral ID is fast. With powerful search algorithms plus a number of convenient pre-filter options, it delivers the proven, accurate qualitative identification capabilities your work requires.

Users can easily create their own custom library collections and add spectra easily using the QuickAdd feature or by importing entire directories or lists of raw data files. Commercial spectral library collections can be combined with custom-built collections to give users extremely broad coverage of compounds in a single search.

Broadest Instrument and Data File Compatibility
  • Compatible with data files from hundreds of analytical instruments including ABB Bomem, Agilent, Beckman™, Bio-Rad™, Hitachi™, Midac, PerkinElmer, Shimadzu™, Thermo Mattson, Nicolet, Varian™, Waters™, and many others
  • Supports industry standard file formats such as ASCII, JCAMP, AIA/ANDI, and more
  • Thermo Scientific™ SmartConvert™ technology identifies an instrument's data file and can open it automatically—with no additional importing steps
Versatile Searching Capabilities
  • Enables highly accurate searches full spectrum, peak, and text searches—alone or in combination
  • Flexible text query methods allow searches to be qualified on properties and text strings with logical operators such as “AND” and “OR”
  • Peak Search uses an automatic peak picking and matching algorithm
  • Reverse Peak Search enables accurate matching of mixtures against libraries of pure component spectra
  • Industry-standard full spectrum search algorithms include: Correlation, 1st Derivative Correlation, Euclidean, Absolute Value, 1st Derivative Absolute Value, Least Squares, 1st Derivative Least Squares
  • Region Mask feature provides greater flexibility in handling spectral interference; includes a selection of common masks, or users can define their own
  • Auto-Subtract feature accurately removes the library spectrum from the mixture with just a click of a button; results can then be used to repeat the search and refine the match
Comprehensive Library Management
  • Combination of third party library support and user-built libraries provides access to hundreds of thousands of spectra
  • Library Manager lets users quickly and easily define and populate their own custom libraries
  • Virtually any optical data type can be used to construct libraries including IR, Raman, UV-Vis, and more
  • Library Manager Wizard guides users through adding spectra and common chemical and physical information
  • Users can select entire directories or lists of files to be automatically added to a library
  • LibFinder can locate all available libraries on one or more disk drives or network drives and automatically add them to the library selector
  • With optional Spectral ID Server software, organizations that routinely use spectral searching can share and centrally manage spectral libraries


Documents

Manuals & protocols