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.

A method includes: performing a time-frequency analysis on measurement data to obtain waveform data representing a temporal change in the intensity of each of a plurality of frequency components; dividing the waveform data of each of a plurality of predetermined frequencies into a plurality of segments so that each section where positive values successively occur and each section where negative values successively occur in a time-axis direction are defined as one segment; calculating the area of each of the segments to obtain segment values; creating, for the waveform data of each of the predetermined frequency components, a selected segment group by excluding a segment whose segment value exceeds a predetermined reference value from the segments in the waveform data; and determining a noise level of each of the predetermined frequency components based on the average value of the segment values of the segments included in the selected segment group.

In a method for estimating a noise level representing the magnitude of a noise component from measurement data, first waveform data composed of high frequency noise components extracted from assumed noise data are divided into segments so that each section where positive values successively occur or each section where negative values successively occur in the first waveform data is defined as one segment. A segment-width threshold is determined based on the distribution of the widths of the segments. Second waveform data composed of high frequency noise components extracted from measurement data are divided into segments in the same manner. Each segment having a width larger than the threshold is excluded from the segments in the second waveform data, to create a first segment group. The noise level is determined based on the heights or areas of the plurality of segments included in the first segment group.

A chromatograph mass spectrometer includes a measurement unit including a mass spectrometry unit capable of MS.sup.n analysis, and to separate sample components and repeatedly perform mass spectrometry, a chromatogram display processing unit to create a chromatogram at a specific m/z and display it, a time designation unit to designate a retention time according to a user operation, a spectrum display processing unit to create an MS spectrum corresponding to the retention time and an MS.sup.n spectrum, as an MS.sup.n analysis result corresponding to the retention time, targeting an m/z of a peak in the MS spectrum or an m/z range including the m/z, and display the MS spectrum and the MS.sup.n spectrum on the same screen, the time designation section designating a retention time by a user moving a pointer, and the spectrum display processing unit, updating the display corresponding to the retention time corresponding to the pointer position.

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.

Roll-to-roll freeze-drying (lyophilization) system and process for facilitating freeze-drying processes and enabling the collection of data by which a freeze-drying process can be monitored and evaluated. Such a system includes a roll-to-roll freeze-drying apparatus adapted to continuously freeze and dry a liquid to form a freeze-dried and encapsulate freeze-dried sheet portions of the freeze-dried sheet to create premeasured pouches containing the freeze-dried sheet portions. The system further includes a metrology section that monitors any of the freeze-dried sheet and the freeze-dried sheet portions during the freezing and drying of the liquid to generate data for controlling the freezing and drying of the liquid.

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.

A method for determining a quantity of an analyte in a liquid sample, comprises: adding a known quantity of an internal standard comprising an isotopically labeled version of the analyte to the sample; (b) providing a continuous stream of the sample having the internal standard to an inlet of a Liquid Chromatography Mass Spectrometry (LCMS) system; and repeatedly performing the steps of: performing a data-independent analysis of the precursor ion species using a mass analyzer, whereby mass spectra of a plurality of fragment-ion species are acquired; calculating one or more degree-of-matching scores that relate to either a number of ions of the internal standard that overlap between results of the data-independent analysis and tabulated mass spectral data of the internal standard; and performing quantitative tandem mass spectrometric analyses of the internal standard and the analyte if each of the degree-of-matching scores meets a respective degree-of-matching condition.

An embodiment of the present invention provides a method of creating a classifier indicative of a presence of a medical condition in a subject, comprising receiving chromatogram data indicative of a profile of volatile organic compounds in a sample from each of a first plurality of subjects having the medical condition and a second plurality of subjects without the medical condition, selecting one of the chromatogram data as reference chromatogram data, aligning the remaining chromatogram data in relation to the reference chromatogram data, extracting one or more features from the chromatogram data using a Mexican hat wavelet transform of one or more scales, selecting one or more features of the chromatogram data indicative of the medical condition, and constructing a classifier for determining a boundary between chromatogram data indicative of the medical condition and chromatogram data indicative of an absence of the medical condition.

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.