FTIR, IRT

Advanced Spectra Search

The Advanced Spectra Search (ADSS) program aids in the analysis of spectra for unknown samples. The program uses two functions to identify the sample: Classification and Search.

Advanced Spectra Search (ADSS)

The Advanced Spectra Search (ADSS) program comes standard with Advanced SearchNAV (ASN).
ADSS aids in the analysis of spectra for unknown samples. The program uses two functions to identify the sample: Classification and Search.

Classification

ADSS classifies the spectrum of an unknown sample into one of 35 different categories.

Search

ADSS compares the spectrum of an unknown sample with spectra in standard libraries to determine the closest standard sample match.

Features of the ADSS Program

    1. Spectra are classified using a machine learning technique without the use of libraries.
    2. The validity of the classification results is checked based on the characteristic band positions and the spectral intensity and can be visually confirmed.
    3. The categories and probabilities are displayed in a table and a bar graph and the classification results can be saved in text format.
    4. The assist function supports the interpretation of the classification results.
    5. The combined use of spectrum classification and searching enables detailed analysis of unknown samples.
    6. A spectrum search can be performed multiple times and the analysis results can be refined by changing the search criteria.
    7. The results for specified conditions can be displayed in descending order of match rate. The classification/search results are saved together and can be reopened using the ADSS program.
    8. User libraries for spectrum searching created by the Spectrum Library Manager program can be used with the ADSS program.

Classification

Open a spectrum file for an unknown sample. Select the Classification check box and click Run. The Classification results are displayed in the Classification Hit List tab shown in the bottom of Figure 1. The unknown sample spectrum and the associated Classification category spectrum are shown at the top of Figure 1. The 35 Classification categories are displayed in Table 1.

Advance Spectral Search
Figure 1. Classification Results

Table 1. ADSS Classification Categories

AcetoneAcrylic resinsAlcohol
CarbonatesCarboxylic acidsCarboxylic acid esters
Carboxylic acid esters (oil)Carboxylic acid saltsCellulose and sugar
Epoxy resinsFluoridesHydrocarbons
Hydrocarbons (polyethylenes)Hydrocarbons (polypropylenes)Nitriles
Phenolic resinsPhosphatesPolyamides
PolycarbonatesPolyethersPolyethers (polyacetal)
PolyestersPolimidesPolyvinyl acetates
Polyvinyl alcoholPolyvinyl chloridesProteins
SilicaSilica (talc)Silica (kaolin)
SiliconeSytreneSulfates
UrethanesWater

Import Custom/Third-Party Libraries

JASCO provides several library files for the ADSS program as standard and offers an optional plastics library for purchase (Figure 2/Table 2).

The ADSS program can also import third-party libraries or custom user-buildable libraries created in the Spectra Library Manager program.

Table 2. ADSS Libraries

Food AdditiveForeign Materials by ATRForeign Materials
InorganicInorganic FIROrganic
PolymerPlastics (Optional)
Figure 2. Register Library

Search

Open a spectrum file for an unknown sample and select the Search check box. Click Library to select the libraries you would like to register for the Search. The Search results are displayed in the Hit List tab shown at the bottom of Figure 3. The unknown sample spectrum and the associated Search spectrum are shown at the top of Figure 3.

SEARCH RESULTS
Figure 3. Search Results