Spectral ID provides rapid searching of multiple format IR and MS spectral libraries. Libraries can be centrally hosted, managed and searched using the optional server component allowing efficient use of your organizations intellectual property.
Product Detail
Spectral ID Version 3.0 is a fast and robust 32-bit application with an easy-to-use interface that addresses all your spectral searching needs. With full spectrum search speeds of over 5,000 compounds per second, Spectral ID will save you valuable time. And only Spectral ID supports all the popular commercial libraries including Sigma-Aldrich, Thermo Nicolet, NIST, Wiley and other vendors. Spectral ID brings you powerful features and flexibility in one easy-to-use software package.
Key Features
Multiple Instrument and Data File Support
Highly accurate Searching Methods
Searching Capabilities: Region Masking, Auto-Subtraction
Powerful Client/Server Searching
Multi-vendor Library Support
Easily Manage Libraries
Advanced Network Administration
Instrument and Data File Compatibility
Work with data files from hundreds of analytical instruments including ABB Bomem, Agilent/HP, Beckman, Bio-Rad, Hitachi, Midac, PerkinElmer, Shimadzu, Thermo Mattson, Thermo Nicolet, Varian, Waters and many others. Work with industry standard file formats such as ASCII, JCAMP, AIA/ANDI and more. Thermo Scientific’s SmartConvert(TM) technology will identify your instrument’s data file and open it automatically for you. There are no additional importing steps, just select the file and click open. See the GRAMS Instrument & Data File compatibility list for more information.
Searching Methods
Perform highly accurate searches with Spectral ID’s full spectrum, peak and text searches. Spectral ID’s flexible text query methods allow you to qualify searches on properties and text strings with logical operators such as “AND” and “OR”. Peak search uses an automatic peak picking and matching algorithm. The reverse peak search enables accurate matching of mixtures against libraries of pure component spectra. You can choose from Spectral ID’s seven industry-standard full spectrum search algorithms including:
- Correlation
- 1st Derivative Correlation
- Euclidean
- Absolute Value
- 1st Derivative Absolute Value
- Least Squares
- 1st Derivative Least Squares
You can use the full spectrum, peak or text searching methods alone or in combination to optimize your search results.
Searching Capabilities
Region Masking
Spectral ID brings you greater flexibility when it comes to spectral interference. Spectral ID’s Region Mask feature lets you eliminate spectral regions from a search with common masks for interferences like CO2, water vapour, nujol mull or carbon tetrachloride. Users can define their own masks of regions to ignore during a search. Masks can be saved and reused at any time. Even with complex masks, Spectral ID’s speed is maintained without sacrificing the correct algorithmic calculation.
Auto-Subtraction
To assist in mixture evaluation, Spectral ID’s Auto-Subtract feature will subtract any library spectrum from the unknown and re-search the result. Based on the powerful “Dewiggle” algorithm, Auto-Subtract accurately removes the library spectrum from the mixture with just a click of a button. The results can then be used to repeat the search and refine the match.
Spectral ID Library Vendors
Spectral ID is the only spectral searching software that supports spectral libraries from multiple vendors in a single package. In addition, you can create new libraries of your own data. The combination of third party library support and user-built libraries gives you access to hundreds of thousands of spectra.
The following Optical and Mass Spectral library vendors supply Spectral ID compatible libraries.
- Optical Library Vendors
Sigma-Aldrich
Thermo Nicolet
John Wiley & Sons - Mass Spec Library Vendors
NIST
John Wiley & Sons
Managing Libraries
In addition to supporting the most popular commercial libraries, Spectral ID’s powerful Library Manager lets you quickly and easily define and populate your own custom libraries. Libraries can be created at any spectral range or resolution and can be stored in 8-bit precision for rapid search or 16 or 32-bit precision for accurate spectral viewing and more demanding search applications. Virtually any optical data type can be used to construct libraries including IR, Raman, UV-Vis, and more. The Library Manager Wizard guides you through adding spectra and common chemical and physical information. You can select entire directories or lists of files to be automatically added to a library.
Spectral ID’s LibFinder makes multiple library selection and searching a breeze. LibFinder will locate all available libraries on one or more disk drives or network drives and automatically add them to the library selector. You can save your favourite sets of libraries to search and instantly restore them at any time. You can search multiple libraries of different ranges and resolutions and Spectral ID will take care of the details.
Network Administration
The Configuration Manager is a set of powerful tools which allow system administrators to easily manage large groups of Thermo Scientific software users. Spectral ID can be installed on and run from any network file server. Spectral ID software can be rolled out to users with a light footprint configuration where minimal software is installed on the local computer or with a full installation that uses more disk space but less network bandwidth. With the Configuration Manager administrators can easily set up individual user and group profiles, install software updates and manage user permissions, all from a central point. All user information is stored on the network server allowing users to access their personal profile from any computer in the organization that has the software installed. The Configuration Manager is particularly helpful in managing Spectral ID and GRAMS Site Licences.
