GRAMS spectral ID

Price per Unit (piece): $895.00

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Spectral ID - Multi-vendor Spectral Library Searching

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.

The search module displays chemical structures and supports searching

chemical/physical properties contained in third party spectral libraries.

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 librariesof 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.