Spectral
ID - Multi-vendor Spectral Library Searching
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:
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.
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.
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