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A program designed to detect and deconvolve overlapping MS data, which can increase the effective resolution of spectra by 3-4 times. PetroOrg Proprietary Software was developed specifically for analyzing petroleum, but it is also used to analyze "other complex mixtures, including anthropogenic environmental contaminants and natural organic ...
This is a list of free and open-source software for geological data handling and interpretation. The list is split into broad categories, depending on the intended use of the software and its scope of functionality. Notice that 'free and open-source' requires that the source code is available and users are given a free software license.
[4] [9] ATR-FTIR: The IR beam interacts with the surface of the sample without penetrating into it. Therefore, sample thickness need not to be thin. [4] [10] ATR-FTIR allows the functional group near the interface of the crystals to be analyzed when the IR radiation is totally internal reflected at the surface. [10]
OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. [4] Its focus is to handle native data files from several mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS), vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others.
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.
weak to strong (usually 3 or 4) 1500 1580 1600 C≡C terminal alkynes 2100–2140 weak disubst. alkynes 2190–2260 very weak (often indistinguishable) C=O aldehyde/ketone saturated aliph./cyclic 6-membered 1720 α,β-unsaturated 1685 aromatic ketones 1685 cyclic 5-membered 1750 cyclic 4-membered 1775 aldehydes 1725
[4] This file format is not in plaintext, such as XML or CSV, but is a binary format and is therefore not readable with a standard text editor but requires a special reader or software to interpret the file data. The Environmental Protection Agency publishes a free spectra reader called ShowSPC that is open to the public for reading spectra ...
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.