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.

The present invention is a data-processing device used for a chromatograph which continuously performs a series of analyses for components in each sample while sequentially introducing a plurality of samples into a column. The device includes: an input section configured to allow for input of information into a schedule table for a plurality of analyses, the schedule table describing an analysis condition including a combination of the values of a plurality of control parameters, the order of execution of the plurality of analyses, and information for identifying a sample to be subjected to each analysis; a chromatogram creating means configured to receive data sequentially collected during two or more analyses and create a joint chromatogram from the data if the two or more analyses have been continuously performed for the same sample according to the schedule table; and a display means configured to display the joint chromatogram.

A chromatographic data system processing apparatus includes a standard sample time table for prestoring a first retention time and a first allowable width of each peak of specific components of a standard sample, a determination unit for determining whether a number of peaks coincides with a specified number when a peak cannot be identified, an alteration unit for altering the standard sample time table by increasing the first allowable width of a specific component to an altered allowable width, an identification unit for identifying the peaks based on the altered standard sample time table when all peaks fall within a range of the altered allowable width, and a setting unit for acquiring an actually-measured retention time of the peaks, and setting a measurement sample time table based on the actually-measured retention time and a second allowable width when the peaks are identified based on the altered standard sample time table.

A method may comprise forming a data matrix, extracting chromatographs of a mud filtrate and a formation fluid, extracting concentration profiles of the mud filtrate and the formation fluid, and decomposing a data set on an information handling machine using a bilinear model. A system may comprise a downhole fluid sampling tool and an information handling tool. The downhole fluid sampling tool may comprise one or more multi-chamber sections, one or more fluid module sections, one or more gas chromatographers, wherein the one or more gas chromatographers are disposed in the one or more fluid module sections, and an information handling system.

A mode of a chromatograph mass spectrometer configured to collect chromatograph mass spectrometry data by repeatedly performing MS analysis and MS/MS analysis or only MS/MS analysis according to a predetermined condition in the mass spectrometer unit on a sample containing a compound separated by a chromatograph unit; a scatter diagram creation section (45) configured to create, based on the data collected by the measurement unit, a scatter diagram in which a retention time and a mass-to-charge ratio of precursor ions are set to axes orthogonal to each other and positions or ranges of the precursor ions from which MS/MS spectra are acquired are plotted; a spectrum creation unit (46) configured to create MS/MS spectra corresponding to the precursor ions indicated on the scatter diagram; and a display processing unit (48) configured to display the scatter diagram and the MS/MS spectra together on a screen of a display unit.

The disclosure provides systems and methods useful for predicting or detecting a malfunction in a chromatography process in real-time. In some embodiments, the disclosure provides systems and methods for detecting an atypical profile in a process chromatogram in ion-exchange chromatography of a biologic product.

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.

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.

A method may comprise forming a data matrix, extracting chromatographs of a mud filtrate and a formation fluid, extracting concentration profiles of the mud filtrate and the formation fluid, and decomposing a data set on an information handling machine using a bilinear model. A system may comprise a downhole fluid sampling tool and an information handling tool. The downhole fluid sampling tool may comprise one or more multi-chamber sections, one or more fluid module sections, one or more gas chromatographers, wherein the one or more gas chromatographers are disposed in the one or more fluid module sections, and an information handling system.