Techniques for real-time or substantially real-time peak detection are described. In one embodiment, for example, logic coupled to memory may be configured to receive data from at least one analytical instrument and perform processing or analysis on the received data. Moreover, the logic may be configured to determine, via one or more GPUs or CPUs (or both), one or more peaks based on the processing or the analysis of the received data and generate peak detection data based on the detected one or more peaks in real-time or substantially real-time. Other embodiments are described.

Methods for classification of hydrocarbon mixtures that include performing two-dimensional gas chromatography on a hydrocarbon mixture to obtain a chromatogram using a two-dimensional gas chromatograph equipped with a flame ionization detector, a reversed phase column configuration with a primary mid-polar or polar column and a secondary non-polar column, and a standard mixture. Classification is performed in which groups of hydrocarbons are identified and labeled based on peaks associated with the standard mixture, after which a quantification process is performed.

Disclosed is a novel means for accurate qualitative and quantitative analyses for each N-glycosylation site. The method of analyzing N-linked sugar chain(s) of glycoprotein according to the present invention comprises: treating a part of a glycopeptide-containing sample to be analyzed with endo-β-N-acetylglucosaminidases to cleave off sugar chains while leaving one GlcNAc of the chitobiose core on the Asn at the N-glycosylation site; subjecting the obtained sugar chain-cleaved sample to preliminary liquid chromatography/mass spectrometry; predicting the retention time of the glycopeptide of interest and the mass-to-charge ratio (m/z) of the precursor ion in main analysis based on the results of the preliminary liquid chromatography/mass spectrometry; and carrying out the main analysis. By this method, the binding sites and structures of N-linked sugar chains in a glycoprotein can be analyzed. By using the sugar chain-cleaved sample as an internal standard in the main analysis, quantitative analysis of sugar chains at each glycosylation site also becomes possible.

An analysis device includes a main control circuit, a sub-control circuit, a backup execution part, and a restoration execution part. The main control circuit has a calibration information storage area for storing calibration information unique to the analysis device, and is configured to perform operation control unique to the analysis device using the calibration information. The sub-control circuit is communicable with the main control circuit and has a backup information storage area for storing the same information as the calibration information in the calibration information storage area. The backup execution part is configured to execute backup for storing information same as the calibration information stored in the calibration information storage area in the backup information storage area. The restoration execution part executes restoration for restoring the calibration information in the calibration information storage area based on the backup information stored in the backup information storage area of the sub-control circuit.

An analyzer is provided with a device body for analyzing a sample and an information processing apparatus for controlling the operation of the device body. The information processing apparatus is configured to collect an operation log indicating an internal operation of the device body. In the operation log, information indicating an operation command issued by the information processing apparatus and information indicating an operation content performed by the device body in response to the operation command are associated on a one-to-one basis.

Examples are directed toward collecting, by a LC-MS device, a full scan of ion chromatograms of a sample. The LC-MS device determines observed ions contained in the full scan, based on mass-to-charge ratios (m/z), and determines, for a formation curve of an observed ion, a formation point at which fifty percent of the observed ion has formed. The LC-MS device determines a fragmentation curve of a precursor ion, based on a fragmentation point of the fragmentation curve equivalent to the formation point at which fifty percent of the precursor ion has fragmented, and identifies the precursor ion by referencing the LC-MS library to confirm that the observed ion is a product of the fragmentation of the precursor ion. The LC-MS device indicates a goodness of fit between the fragmentation curve, as observed, and a model fragmentation curve, as stored in the LC-MS library.

Exemplary embodiments provide methods, mediums, and systems for visualization and advanced data science on information collected in an analytical data system. Embodiments identify correlations and patterns in chromatography metadata around areas of potential user error. Correlations between these data sources may point to compliance risk areas. Metadata from the analytical system may be combined with other data sources and/or analytical data to correlate an analytical outcome with compliance artifacts. Supervised and/or unsupervised machine learning techniques may be used to combine these data source and learn correlations between them and compliance risks. The results of these analyses may be displayed on a dashboard, allowing a user to visualize compliance risks across an entire enterprise or supply chain. Automatic notifications of compliance risks may be generated and presented on a user interface. A system may also use pattern recognition to provide insights around potential compliance risks that have not yet occurred.

Disclosed are a tea type differentiation method and system, belonging to the technical field of detection. The method comprises: building a differentiation function by using ionic strengths of 20 compounds as evaluation indexes to discriminate tea types. According to the disclosure, the tea types are discriminated by using relative abundance of 20 compounds in tea, problems in sensory differentiation can be solved, the tea is classified more objectively and scientifically, and the reliability and accuracy of differentiation results are improved. By using three algorithms, the feasibility and accuracy of using 20 discovered compounds for tea type differentiation in a combined manner are validated.

A peak extraction method for extracting a true peak from a measured waveform, including acquiring a second derivative waveform; extracting a provisional peak on the basis of a maximum value and/or a minimum value of the second derivative waveform; determining the peak width of the provisional peak on the basis of a model peak function; computing, on the basis of the model peak function, a theoretical value for the height of the provisional peak using two points corresponding to the two ends of the peak width; computing, based on the second derivative waveform, an index value for a variation in the noise on the measured waveform; and computing an S/N ratio, which is a ratio of the peak height theoretical value and the index value, and extracting the provisional peak that is equal to or greater than a preset value as the true peak.

The present invention relates to a chromatography method, a method of determining the concentration of at least one compound in a chromatography method, a method of obtaining an adsorption isotherm, a method of obtaining at least one stationary phase and a method of evaluating the accuracy of a predetermined adsorption isotherm.