摘要:
The invention relates to apparatus and methods for assessing occurrence of a hazardous agent in a sample by performing multipoint spectral analysis of the sample. Methods of employing Raman spectroscopy and other spectrophotometric methods are disclosed. Devices and systems suitable for performing such multipoint methods are also disclosed.
摘要:
The disclosure relates generally to methods and apparatus for using a fiber array spectral translator-based (“FAST”) spectroscopic system for performing spectral unmixing of a mixture containing multiple polymorphs. In an embodiment, a first spectrum of a mixture containing polymorphs of a compound is obtained using a photon detector and a fiber array spectral translator having plural fibers. A set of second spectra is provided where each spectrum of the set of second spectra may be representative of a different polymorph of the compound. The first spectrum and the set of second spectra may be compared, and based on the comparison, the presence of one or more polymorphs in the mixture may be determined.
摘要:
A system and method to search spectral databases and to identify unknown materials. A library comprising sublibraries is provided, each sublibrary containing a plurality of reference data sets corresponding to known materials. Test data sets are provided, characteristic of an unknown material. Each test data set is generated by one or more spectroscopic data generating instruments. Each sublibrary is searched and a corresponding set of scores is produced, indicating a likelihood of a match. Relative probability values are calculated for each searched sublibrary. All relative probability values are fused producing a set of final probability values, used to determine whether the unknown material is represented through a known material in the library. A highest final probability value is selected compared to a minimum confidence value. If the probability value is greater than or equal to the minimum confidence value, the known material is reported.
摘要:
The invention relates to apparatus and methods for assessing occurrence of a hazardous agent in a sample by performing multipoint spectral analysis of the sample. Methods of employing Raman spectroscopy and other spectrophotometric methods are disclosed. Devices and systems suitable for performing such multipoint methods are also disclosed.
摘要:
The spectral method for determining the concentrations of a substance in a mixture of any number of substances is defined by a chemical image having a plurality of pixels (520). The method includes steps of providing a spectrum for each of the n number of substances in the mixture (530), and obtaining the spectrum for one of the plurality of pixels, and calculating a plurality of estimated concentrations of each substance in the mixture as a function of the spectrum for each substance and the spectrum for the pixel, and calculating a deviation value for each of the plurality of estimated concentrations as a function of the spectrum of each of the number of substances in the mixture, and selecting the estimated concentration with the lowest deviation factor as a most likely concentration of each substance in the mixture (550).
摘要:
The present invention is directed generally toward the field of spectral analysis and, more particularly, toward an improved method of identifying unknown components of a mixture from a set of spectra collected from the mixture using a spectral library including potential candidates. For example, the present method is directed to identifying components of a mixture by the steps which comprise obtaining a set of spectral data for the mixture that defines a mixture data space; ranking a plurality of library spectra of known elements according to their angle of projection into the mixture data space; calculating a corrected correlation coefficient for each combination of the top y ranked library spectra; and selecting the combination having the highest corrected correlation coefficient, wherein the known elements of the selected combination are identified as the components of the mixture.