Local and global peak matching

#Fourier transform infrared (FTIR) spectrometry can be a rapid and sensitive technique often used in the identification of molecular species present in a sample. Typically, the technique measures the absorption of infrared radiation by a material as a function of wavelength or frequency. The infrared (IR) absorption bands (also referred to as “peaks” or “features”) observed can identify molecular components and structures.

#In the laboratory or in the field, FTIR instrumentation can be part of a larger system, a system that can include, for example, a gas chromatography (GC) apparatus.

#Gas chromatography (GC) is an analytical approach for separating chemical substances based on differences in partitioning behavior between a flowing mobile phase (gas phase) and a stationary phase supported in a column to separate the components in a mixture. As the gas flow passes through the column, the sample components move at velocities that are influenced by the degree of interaction of each component with the stationary phase in the column. Consequently, the different components separate as the components elute from the column.

#In the accompanying drawings, reference characters refer to the same parts throughout the different views. The drawings are not necessarily to scale; emphasis has instead been placed upon illustrating the principles of the invention. Of the drawings:

#FIG. 1 is a schematic diagram of a sample analysis system, which is suitable for use with the present invention.

#FIG. 2 is a plot presented in a user interface on a monitor of the computer system of the FTIR absorbance as a function of wavenumber of an unknown compound, highlighting the features in the 1130 to 1220 cm−1 spectral region.

#The invention now will be described more fully hereinafter with reference to the accompanying drawings, in which illustrative embodiments of the invention are shown. This invention may, however, be embodied in many different forms and should not be construed as limited to the embodiments set forth herein; rather, these embodiments are provided so that this disclosure will be thorough and complete, and will fully convey the scope of the invention to those skilled in the art.

#As used herein, the term “and/or” includes any and all combinations of one or more of the associated listed items. Further, the singular forms and the articles “a”, “an” and “the” are intended to include the plural forms as well, unless expressly stated otherwise. It will be further understood that the terms: includes, comprises, including and/or comprising, when used in this specification, specify the presence of stated features, integers, steps, operations, elements, and/or components, but do not preclude the presence or addition of one or more other features, integers, steps, operations, elements, components, and/or groups thereof. Further, it will be understood that when an element, including component or subsystem, is referred to and/or shown as being connected or coupled to another element, it can be directly connected or coupled to the other element or intervening elements may be present.

#Embodiments described herein generally relate to spectroscopic techniques and, in particular, Fourier Transform Infrared (FTIR) techniques that can be utilized to identify unknown compounds present in a sample. These techniques are typically implemented by software executed by a computer and, in many cases, can be applied or adapted to any analysis process or instrumentation that uses FTIR spectrometry system or other spectrometry systems. In specific examples, the spectroscopic analysis is further enhanced or facilitated by a temporal separation of unknown compounds present in the sample being analyzed.