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An infrared spectroscopy correlation table (or table of infrared absorption frequencies) is a list of absorption peaks and frequencies, typically reported in wavenumber, for common types of molecular bonds and functional groups.
The construction of the database started in 1982. Most of the spectra were acquired and recorded in AIST and some of the collections are still being updated. [ 3 ] Since 1997, the database can be accessed free of charge, but its use requires agreeing to a disclaimer; the total accumulated number of times accessed reached 550 million by the end ...
Proprietary, with a free-to-use edition (Polyhedra Lite) Relational (SQL, ODBC, JDBC) in-memory database system originally developed for use in SCADA and embedded systems, but used in a variety of other applications including financial systems. Supports data durability via snapshots and journal logging, and high availability via a hot-standby.
The current version of SIRIUS uses a deep neural network for auto-detection of elements from the isotope and fragmentation pattern of the query molecule. [14] For very large molecules or in case of missing data (e.g., a missing isotope pattern), it is possible to restrict SIRIUS to molecular formulas found in a database, such as PubChem.
FTIR mode Sample preparation Schematic diagram Transmission FTIR: Transmission mode is the most widely used FTIR technique in geoscience due to its high analysis speed and cost-efficient characteristics. [4] The sample, either a rock or a mineral, is cut into a block and polished on both sides until a thin (typically 300 to 15 μm) wafer is ...
Fourier transform infrared spectroscopy (FTIR) [1] is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas. An FTIR spectrometer simultaneously collects high-resolution spectral data over a wide spectral range.
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There are two main approaches to two-dimensional spectroscopy, the Fourier-transform method, in which the data is collected in the time-domain and then Fourier-transformed to obtain a frequency-frequency 2D correlation spectrum, and the frequency domain approach in which all the data is collected directly in the frequency domain.